(2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide

C10H17N3O2S — CID 103950583

IUPAC(2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-6(2)3-8(11)9(14)12-4-7-5-16-10(15)13-7/h5-6,8H,3-4,11H2,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyFBERDFAJTJRDSY-QMMMGPOBSA-N
MW243.33 g/mol
LogP0.43
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide

(2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide (PubChem CID 103950583) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
PubChem CID103950583
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-6(2)3-8(11)9(14)12-4-7-5-16-10(15)13-7/h5-6,8H,3-4,11H2,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyFBERDFAJTJRDSY-QMMMGPOBSA-N
XLogP0.43
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopentyl(methyl)amino]-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 75483316
3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 128712971
4,4-dimethyl-N-[2-(3-methylsulfanylpropanoylamino)prop-2-enyl]pentanamide
CID 117649970
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17461015
N-[(2R)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980907
N-[(2S)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980908
N-[(1R)-1-cyclopropylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27884765
N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27884766
N-(1-cyclopropylethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 45796089
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 51115786
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248049
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248051

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide (CID 103950583) is (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The InChIKey is FBERDFAJTJRDSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)3-8(11)9(14)12-4-7-5-16-10(15)13-7/h5-6,8H,3-4,11H2,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide has a molecular weight of 243.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 103950583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).