(2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

C11H19N3OS — CID 61280062

IUPAC(2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CNC(=O)[C@@H](N)CC(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-7(2)4-10(12)11(15)14-6-9-5-13-8(3)16-9/h5,7,10H,4,6,12H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyPTFGZNQDACJTQO-JTQLQIEISA-N
MW241.36 g/mol
LogP1.44
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

(2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (PubChem CID 61280062) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
PubChem CID61280062
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CNC(=O)[C@@H](N)CC(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-7(2)4-10(12)11(15)14-6-9-5-13-8(3)16-9/h5,7,10H,4,6,12H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyPTFGZNQDACJTQO-JTQLQIEISA-N
XLogP1.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (CID 61280062) is (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is Cc1ncc(CNC(=O)[C@@H](N)CC(C)C)s1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The InChIKey is PTFGZNQDACJTQO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)4-10(12)11(15)14-6-9-5-13-8(3)16-9/h5,7,10H,4,6,12H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide has a molecular weight of 241.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 61280062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).