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

C12H21N3OS — CID 114127505

IUPAC(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-8(2)6-10(13)11(16)15-7-9(3)12-14-4-5-17-12/h4-5,8-10H,6-7,13H2,1-3H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyKEZXSTYLVWGVKY-AXDSSHIGSA-N
MW255.39 g/mol
LogP1.74
Rot. Bonds6

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

(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide (PubChem CID 114127505) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
PubChem CID114127505
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-8(2)6-10(13)11(16)15-7-9(3)12-14-4-5-17-12/h4-5,8-10H,6-7,13H2,1-3H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyKEZXSTYLVWGVKY-AXDSSHIGSA-N
XLogP1.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]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-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 114127534
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 114129314
6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 114129311
2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 114127550
3,3-dimethyl-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 104576296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide (CID 114127505) is (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide is CC(C)C[C@H](N)C(=O)NCC(C)c1nccs1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide?
The InChIKey is KEZXSTYLVWGVKY-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)6-10(13)11(16)15-7-9(3)12-14-4-5-17-12/h4-5,8-10H,6-7,13H2,1-3H3,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide has a molecular weight of 255.39 g/mol, XLogP of 1.74, 6 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-(1,3-thiazol-2-yl)propyl]pentanamide is sourced from PubChem (CID 114127505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).