2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C16H19ClN2O2S2 — CID 42581313

IUPAC2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C16H19ClN2O2S2/c1-10-14(15(21)19-13(9-20)7-8-22-2)23-16(18-10)11-3-5-12(17)6-4-11/h3-6,13,20H,7-9H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyKULVJIUDVPJLCO-ZDUSSCGKSA-N
MW370.93 g/mol
LogP3.62
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 42581313) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID42581313
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C16H19ClN2O2S2/c1-10-14(15(21)19-13(9-20)7-8-22-2)23-16(18-10)11-3-5-12(17)6-4-11/h3-6,13,20H,7-9H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyKULVJIUDVPJLCO-ZDUSSCGKSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 42581313) is 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is CSCC[C@@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KULVJIUDVPJLCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-10-14(15(21)19-13(9-20)7-8-22-2)23-16(18-10)11-3-5-12(17)6-4-11/h3-6,13,20H,7-9H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 370.93 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42581313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).