N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide

C10H15N3O2S — CID 154832931

IUPACN-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCC[C@H](NC(=O)c1cnc(C)s1)C(N)=O
InChIInChI=1S/C10H15N3O2S/c1-3-4-7(9(11)14)13-10(15)8-5-12-6(2)16-8/h5,7H,3-4H2,1-2H3,(H2,11,14)(H,13,15)/t7-/m0/s1
InChIKeyDXESMCYFXYKUFE-ZETCQYMHSA-N
MW241.32 g/mol
LogP0.84
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide

N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 154832931) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID154832931
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCC[C@H](NC(=O)c1cnc(C)s1)C(N)=O
InChIInChI=1S/C10H15N3O2S/c1-3-4-7(9(11)14)13-10(15)8-5-12-6(2)16-8/h5,7H,3-4H2,1-2H3,(H2,11,14)(H,13,15)/t7-/m0/s1
InChIKeyDXESMCYFXYKUFE-ZETCQYMHSA-N
XLogP0.84
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694
N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide
CID 104919668
2-acetamidopentanamide
CID 23273489
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103716600
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
N-[(1R)-1,2-diphenylethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 52529905
N-(2-amino-2-cyclopropylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103872690
N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
CID 77060505
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96631567
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide (CID 154832931) is N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide is CCC[C@H](NC(=O)c1cnc(C)s1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DXESMCYFXYKUFE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-4-7(9(11)14)13-10(15)8-5-12-6(2)16-8/h5,7H,3-4H2,1-2H3,(H2,11,14)(H,13,15)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154832931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).