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

C15H19N3OS — CID 119270246

IUPAC(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-10(2)13(16)14(19)18-15-17-9-12(20-15)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyAZDGORRKDVYMQP-ZDUSSCGKSA-N
MW289.40 g/mol
LogP2.66
Rot. Bonds5

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

(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 119270246) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID119270246
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-10(2)13(16)14(19)18-15-17-9-12(20-15)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyAZDGORRKDVYMQP-ZDUSSCGKSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119270233
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
(2S)-2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119305393
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 46968486
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 51583917
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide
CID 119687594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide (CID 119270246) is (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide?
The InChIKey is AZDGORRKDVYMQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)13(16)14(19)18-15-17-9-12(20-15)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide?
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 289.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 119270246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).