(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide

C10H17N3OS — CID 61283871

IUPAC(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-3-7(2)9(11)10(14)13-6-8-12-4-5-15-8/h4-5,7,9H,3,6,11H2,1-2H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyCOYDFDSGYXRIEL-CBAPKCEASA-N
MW227.33 g/mol
LogP1.13
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (PubChem CID 61283871) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
PubChem CID61283871
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-3-7(2)9(11)10(14)13-6-8-12-4-5-15-8/h4-5,7,9H,3,6,11H2,1-2H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyCOYDFDSGYXRIEL-CBAPKCEASA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)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

(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
2-[[[(2S)-2-amino-3-methylpentanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380325
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119731588

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (CID 61283871) is (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NCc1nccs1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The InChIKey is COYDFDSGYXRIEL-CBAPKCEASA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-7(2)9(11)10(14)13-6-8-12-4-5-15-8/h4-5,7,9H,3,6,11H2,1-2H3,(H,13,14)/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide has a molecular weight of 227.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 61283871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).