2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide

C16H21N3OS — CID 119687594

IUPAC2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-9-16(2,17)14(20)19-15-18-11-13(21-15)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyQSVDNUXEONEWJW-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.19
Rot. Bonds6

About 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide

2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide (PubChem CID 119687594) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide
PubChem CID119687594
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-9-16(2,17)14(20)19-15-18-11-13(21-15)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyQSVDNUXEONEWJW-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
CID 119752322
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
2-amino-2-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 60848234
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide
CID 1095925
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide (CID 119687594) is 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide?
The InChIKey is QSVDNUXEONEWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-9-16(2,17)14(20)19-15-18-11-13(21-15)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide?
2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide has a molecular weight of 303.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide is sourced from PubChem (CID 119687594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).