(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide

C18H24ClN3OS — CID 119812931

IUPAC(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide
SMILESCc1sc(C(C)NC(=O)[C@@H](N)C(C)(C)C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3OS/c1-10(21-16(23)15(20)18(3,4)5)17-22-14(11(2)24-17)12-6-8-13(19)9-7-12/h6-10,15H,20H2,1-5H3,(H,21,23)/t10?,15-/m1/s1
InChIKeyQMBJLQOTENLYNL-GENIYJEYSA-N
MW365.93 g/mol
LogP4.32
Rot. Bonds4

About (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 119812931) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID119812931
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide
SMILESCc1sc(C(C)NC(=O)[C@@H](N)C(C)(C)C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3OS/c1-10(21-16(23)15(20)18(3,4)5)17-22-14(11(2)24-17)12-6-8-13(19)9-7-12/h6-10,15H,20H2,1-5H3,(H,21,23)/t10?,15-/m1/s1
InChIKeyQMBJLQOTENLYNL-GENIYJEYSA-N
XLogP4.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide
CID 119812951
1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119812912
7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide
CID 119812915
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
sodium 1-[2-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylate
CID 154848260
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119750100
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
2-[1-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 77135788

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide (CID 119812931) is (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide is Cc1sc(C(C)NC(=O)[C@@H](N)C(C)(C)C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is QMBJLQOTENLYNL-GENIYJEYSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c1-10(21-16(23)15(20)18(3,4)5)17-22-14(11(2)24-17)12-6-8-13(19)9-7-12/h6-10,15H,20H2,1-5H3,(H,21,23)/t10?,15-/m1/s1.
What are the key properties of (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 365.93 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119812931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).