(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide

C9H15N3OS — CID 103814809

IUPAC(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ncc(C)s1
InChIInChI=1S/C9H15N3OS/c1-3-7(10)9(13)12-5-8-11-4-6(2)14-8/h4,7H,3,5,10H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyPMUBPGKTMVNFIP-ZETCQYMHSA-N
MW213.31 g/mol
LogP0.81
Rot. Bonds4

About (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide

(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 103814809) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID103814809
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ncc(C)s1
InChIInChI=1S/C9H15N3OS/c1-3-7(10)9(13)12-5-8-11-4-6(2)14-8/h4,7H,3,5,10H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyPMUBPGKTMVNFIP-ZETCQYMHSA-N
XLogP0.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide 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

(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 103814799
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 103697870
3-amino-5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 114126786
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide
CID 114127580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide (CID 103814809) is (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide is CC[C@H](N)C(=O)NCc1ncc(C)s1.
What is the InChIKey of (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is PMUBPGKTMVNFIP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-7(10)9(13)12-5-8-11-4-6(2)14-8/h4,7H,3,5,10H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 213.31 g/mol, XLogP of 0.81, 4 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-methyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 103814809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).