2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide

C10H13N3OS — CID 55208431

IUPAC2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1nc(C)cs1
InChIInChI=1S/C10H13N3OS/c1-3-8(4-11)10(14)12-5-9-13-7(2)6-15-9/h6,8H,3,5H2,1-2H3,(H,12,14)
InChIKeyAYCXQTHXAZQVIZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds4

About 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide

2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 55208431) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID55208431
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1nc(C)cs1
InChIInChI=1S/C10H13N3OS/c1-3-8(4-11)10(14)12-5-9-13-7(2)6-15-9/h6,8H,3,5H2,1-2H3,(H,12,14)
InChIKeyAYCXQTHXAZQVIZ-UHFFFAOYSA-N
XLogP1.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 94036213
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
ethyl 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 64668560
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043735
N-(1-benzothiophen-3-ylmethyl)-2-cyanobutanamide
CID 115188332
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide (CID 55208431) is 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide is CCC(C#N)C(=O)NCc1nc(C)cs1.
What is the InChIKey of 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is AYCXQTHXAZQVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-8(4-11)10(14)12-5-9-13-7(2)6-15-9/h6,8H,3,5H2,1-2H3,(H,12,14).
What are the key properties of 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide?
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 223.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 55208431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).