About (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 161368985) has the molecular formula C177H189Cl6F6N27O21S6
and a molecular weight of 3549.73 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 161368985) is (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is C=S1(=O)CC[C@@H](C(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCCC2)c2ccccc2Cl)N1c1ncccn1.C=S1(=O)CC[C@@H](C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2Cl)N1c1ncccn1.C=S1(=O)CC[C@@H](C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC2CCCCC2)c2ccccc2Cl)N1c1ncccn1.Cc1ccnc(N2[C@H](C(=O)N(c3cccc(F)c3)C(C(=O)NC3CCCCC3)c3ccccc3Cl)CCS2(=O)=O)c1.Cc1ccnc(N2[C@H](C(=O)N(c3cccc(F)c3)[C@@H](C(=O)NC3CCCCC3)c3ccccc3Cl)CCS2(=O)=O)c1.Cc1ccnc(N2[C@H](C(=O)N(c3cccc(F)c3)[C@H](C(=O)NC3CCCCC3)c3ccccc3Cl)CCS2(=O)=O)c1.
What is the InChIKey of (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is VQFFQTPJIBRZPM-FTEKNWFRSA-N. The full InChI is InChI=1S/3C30H32ClFN4O4S.3C29H31ClFN5O3S/c3*1-20-14-16-33-27(18-20)36-26(15-17-41(36,39)40)30(38)35(23-11-7-8-21(32)19-23)28(24-12-5-6-13-25(24)31)29(37)34-22-9-3-2-4-10-22;3*1-40(39)18-15-25(36(40)29-32-16-8-17-33-29)28(38)35(22-12-7-9-20(31)19-22)26(23-13-5-6-14-24(23)30)27(37)34-21-10-3-2-4-11-21/h3*5-8,11-14,16,18-19,22,26,28H,2-4,9-10,15,17H2,1H3,(H,34,37);3*5-9,12-14,16-17,19,21,25-26H,1-4,10-11,15,18H2,(H,34,37)/t26-,28?;26-,28+;26-,28-;25-,26?,40?;25-,26+,40?;25-,26-,40?/m000000/s1.
What are the key properties of (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 3549.73 g/mol, XLogP of 30.05, 42 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-1-methylidene-1-oxo-2-pyrimidin-2-yl-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1S)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[(1R)-1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;(3S)-N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 161368985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).