(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride

C15H20ClN3OS — CID 119720429

IUPAC(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ncc(-c2ccccc2)s1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-10(2)8-12(16)14(19)18-15-17-9-13(20-15)11-6-4-3-5-7-11;/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,18,19);1H/t12-;/m0./s1
InChIKeyNNNNNXBSHZECGX-YDALLXLXSA-N
MW325.87 g/mol
LogP3.54
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride (PubChem CID 119720429) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
PubChem CID119720429
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ncc(-c2ccccc2)s1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-10(2)8-12(16)14(19)18-15-17-9-13(20-15)11-6-4-3-5-7-11;/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,18,19);1H/t12-;/m0./s1
InChIKeyNNNNNXBSHZECGX-YDALLXLXSA-N
XLogP3.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 119956548
(2S)-2-amino-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)pentanamide
CID 110482466
3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 47028162
4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
CID 86945187
ethyl (2R,3R)-2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 99783909
ethyl 2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 86815396
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
1-amino-N-(5-phenyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119287697
(5-phenyl-1,3-thiazol-2-yl)hydrazine;hydrochloride
CID 121237517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride (CID 119720429) is (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ncc(-c2ccccc2)s1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
The InChIKey is NNNNNXBSHZECGX-YDALLXLXSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-10(2)8-12(16)14(19)18-15-17-9-13(20-15)11-6-4-3-5-7-11;/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,18,19);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119720429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).