N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide

C12H17N3OS — CID 139725811

IUPACN-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCC(C#N)NC(=O)c1sc(C)nc1CC
InChIInChI=1S/C12H17N3OS/c1-4-6-9(7-13)15-12(16)11-10(5-2)14-8(3)17-11/h9H,4-6H2,1-3H3,(H,15,16)
InChIKeyPFTCYBLQNGYIHG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.44
Rot. Bonds5

About N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide

N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 139725811) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID139725811
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCC(C#N)NC(=O)c1sc(C)nc1CC
InChIInChI=1S/C12H17N3OS/c1-4-6-9(7-13)15-12(16)11-10(5-2)14-8(3)17-11/h9H,4-6H2,1-3H3,(H,15,16)
InChIKeyPFTCYBLQNGYIHG-UHFFFAOYSA-N
XLogP2.44
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 14796165
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
4-ethyl-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 118774250
2-chloro-N-(1-cyanobutyl)-6-methylpyridine-4-carboxamide
CID 104952754
4-acetyl-N-(1-cyanobutyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 56823337
N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
CID 61407019
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344554
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779
N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
CID 65204910
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide (CID 139725811) is N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide is CCCC(C#N)NC(=O)c1sc(C)nc1CC.
What is the InChIKey of N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PFTCYBLQNGYIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-4-6-9(7-13)15-12(16)11-10(5-2)14-8(3)17-11/h9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139725811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).