(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride

C15H24ClN5OS — CID 154886321

IUPAC(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
SMILESCCC(CC)n1nc(C)cc1NC(=O)[C@@H](N)Cc1cscn1.Cl
InChIInChI=1S/C15H23N5OS.ClH/c1-4-12(5-2)20-14(6-10(3)19-20)18-15(21)13(16)7-11-8-22-9-17-11;/h6,8-9,12-13H,4-5,7,16H2,1-3H3,(H,18,21);1H/t13-;/m0./s1
InChIKeyDFZZYWSVBRURSW-ZOWNYOTGSA-N
MW357.91 g/mol
LogP2.94
Rot. Bonds7

About (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride

(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride (PubChem CID 154886321) has the molecular formula C15H24ClN5OS and a molecular weight of 357.91 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
PubChem CID154886321
Molecular FormulaC15H24ClN5OS
Molecular Weight357.91 g/mol
Exact Mass357.14
IUPAC Name(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
SMILESCCC(CC)n1nc(C)cc1NC(=O)[C@@H](N)Cc1cscn1.Cl
InChIInChI=1S/C15H23N5OS.ClH/c1-4-12(5-2)20-14(6-10(3)19-20)18-15(21)13(16)7-11-8-22-9-17-11;/h6,8-9,12-13H,4-5,7,16H2,1-3H3,(H,18,21);1H/t13-;/m0./s1
InChIKeyDFZZYWSVBRURSW-ZOWNYOTGSA-N
XLogP2.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide
CID 46999276
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 110472608
methyl 2-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 87579921
2-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]amino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 154892159
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179
3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 50960014
2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387018
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
2-amino-N-(4-methyl-1,3-thiazol-5-yl)butanamide;dihydrochloride
CID 130804842
cyclopentyl 4-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]amino]benzoate;hydrochloride
CID 154889798
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide
CID 46993773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride (CID 154886321) is (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride is CCC(CC)n1nc(C)cc1NC(=O)[C@@H](N)Cc1cscn1.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
The InChIKey is DFZZYWSVBRURSW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H23N5OS.ClH/c1-4-12(5-2)20-14(6-10(3)19-20)18-15(21)13(16)7-11-8-22-9-17-11;/h6,8-9,12-13H,4-5,7,16H2,1-3H3,(H,18,21);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride has a molecular weight of 357.91 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 154886321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).