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

C11H19N3OS — CID 61157071

IUPAC(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-4-7(2)10(12)11(15)13-5-9-14-8(3)6-16-9/h6-7,10H,4-5,12H2,1-3H3,(H,13,15)/t7-,10-/m0/s1
InChIKeyCFVUIQODDUVRGH-XVKPBYJWSA-N
MW241.36 g/mol
LogP1.44
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide (PubChem CID 61157071) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
PubChem CID61157071
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-4-7(2)10(12)11(15)13-5-9-14-8(3)6-16-9/h6-7,10H,4-5,12H2,1-3H3,(H,13,15)/t7-,10-/m0/s1
InChIKeyCFVUIQODDUVRGH-XVKPBYJWSA-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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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
2-[[[(2S)-2-amino-3-methylpentanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380325
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55208431
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
(2R)-2-(4-methoxyphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 30955486
ethyl 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 64668560

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide (CID 61157071) is (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NCc1nc(C)cs1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
The InChIKey is CFVUIQODDUVRGH-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-7(2)10(12)11(15)13-5-9-14-8(3)6-16-9/h6-7,10H,4-5,12H2,1-3H3,(H,13,15)/t7-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-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,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 61157071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).