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

C18H24ClN3OS — CID 119812951

IUPAC(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide
SMILESCc1sc(C(C)NC(=O)[C@@H](N)CC(C)C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3OS/c1-10(2)9-15(20)17(23)21-11(3)18-22-16(12(4)24-18)13-5-7-14(19)8-6-13/h5-8,10-11,15H,9,20H2,1-4H3,(H,21,23)/t11?,15-/m0/s1
InChIKeyKCYJFEKGUNDTKJ-MHTVFEQDSA-N
MW365.93 g/mol
LogP4.32
Rot. Bonds6

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

(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide (PubChem CID 119812951) 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]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide
PubChem CID119812951
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]-4-methylpentanamide
SMILESCc1sc(C(C)NC(=O)[C@@H](N)CC(C)C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3OS/c1-10(2)9-15(20)17(23)21-11(3)18-22-16(12(4)24-18)13-5-7-14(19)8-6-13/h5-8,10-11,15H,9,20H2,1-4H3,(H,21,23)/t11?,15-/m0/s1
InChIKeyKCYJFEKGUNDTKJ-MHTVFEQDSA-N
XLogP4.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide
CID 119812931
7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide
CID 119812915
1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119812912
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
sodium 1-[2-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylate
CID 154848260
(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 119898142
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
ethyl 4-[5-methyl-2-[(1S)-1-(methylamino)ethyl]-1,3-thiazol-4-yl]benzoate
CID 67046755
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987230
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methylsulfanylbutanamide
CID 119320646

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]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide (CID 119812951) is (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide is Cc1sc(C(C)NC(=O)[C@@H](N)CC(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]-4-methylpentanamide?
The InChIKey is KCYJFEKGUNDTKJ-MHTVFEQDSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c1-10(2)9-15(20)17(23)21-11(3)18-22-16(12(4)24-18)13-5-7-14(19)8-6-13/h5-8,10-11,15H,9,20H2,1-4H3,(H,21,23)/t11?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide has a molecular weight of 365.93 g/mol, XLogP of 4.32, 6 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]-4-methylpentanamide is sourced from PubChem (CID 119812951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).