2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide

C21H21ClN2OS — CID 4868536

IUPAC2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCc1sc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)nc1-c1ccccc1
InChIInChI=1S/C21H21ClN2OS/c1-13(2)18(15-9-11-17(22)12-10-15)20(25)24-21-23-19(14(3)26-21)16-7-5-4-6-8-16/h4-13,18H,1-3H3,(H,23,24,25)
InChIKeyRMJUQPFRPKWIAX-UHFFFAOYSA-N
MW384.93 g/mol
LogP6.15
Rot. Bonds5

About 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide

2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 4868536) has the molecular formula C21H21ClN2OS and a molecular weight of 384.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID4868536
Molecular FormulaC21H21ClN2OS
Molecular Weight384.93 g/mol
Exact Mass384.11
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCc1sc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)nc1-c1ccccc1
InChIInChI=1S/C21H21ClN2OS/c1-13(2)18(15-9-11-17(22)12-10-15)20(25)24-21-23-19(14(3)26-21)16-7-5-4-6-8-16/h4-13,18H,1-3H3,(H,23,24,25)
InChIKeyRMJUQPFRPKWIAX-UHFFFAOYSA-N
XLogP6.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.93
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea
CID 17217985
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257805
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 2123941
2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 19203493
(2S)-2-amino-3-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119267022

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide (CID 4868536) is 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide is Cc1sc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)nc1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is RMJUQPFRPKWIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2OS/c1-13(2)18(15-9-11-17(22)12-10-15)20(25)24-21-23-19(14(3)26-21)16-7-5-4-6-8-16/h4-13,18H,1-3H3,(H,23,24,25).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 384.93 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 4868536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).