(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide

C17H21N3OS2 — CID 124594864

IUPAC(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CSCN3)s2)cc1
InChIInChI=1S/C17H21N3OS2/c1-10-4-6-13(7-5-10)17-20-12(3)15(23-17)11(2)19-16(21)14-8-22-9-18-14/h4-7,11,14,18H,8-9H2,1-3H3,(H,19,21)/t11-,14-/m1/s1
InChIKeyMCIZHMKCWRCIIE-BXUZGUMPSA-N
MW347.51 g/mol
LogP3.27
Rot. Bonds4

About (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124594864) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID124594864
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CSCN3)s2)cc1
InChIInChI=1S/C17H21N3OS2/c1-10-4-6-13(7-5-10)17-20-12(3)15(23-17)11(2)19-16(21)14-8-22-9-18-14/h4-7,11,14,18H,8-9H2,1-3H3,(H,19,21)/t11-,14-/m1/s1
InChIKeyMCIZHMKCWRCIIE-BXUZGUMPSA-N
XLogP3.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide (CID 124594864) is (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide is Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CSCN3)s2)cc1.
What is the InChIKey of (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MCIZHMKCWRCIIE-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-10-4-6-13(7-5-10)17-20-12(3)15(23-17)11(2)19-16(21)14-8-22-9-18-14/h4-7,11,14,18H,8-9H2,1-3H3,(H,19,21)/t11-,14-/m1/s1.
What are the key properties of (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124594864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).