N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C20H24FN3O2S — CID 4245480

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)cc2)s1
InChIInChI=1S/C20H24FN3O2S/c1-13-19(27-14(2)22-13)20(26)24(17-10-8-15(21)9-11-17)12-18(25)23-16-6-4-3-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,23,25)
InChIKeyKKCGADDEULZFID-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 4245480) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID4245480
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)cc2)s1
InChIInChI=1S/C20H24FN3O2S/c1-13-19(27-14(2)22-13)20(26)24(17-10-8-15(21)9-11-17)12-18(25)23-16-6-4-3-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,23,25)
InChIKeyKKCGADDEULZFID-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 4245480) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is KKCGADDEULZFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-13-19(27-14(2)22-13)20(26)24(17-10-8-15(21)9-11-17)12-18(25)23-16-6-4-3-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4245480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).