3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide

C15H20N4OS — CID 166970127

IUPAC3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
SMILESC=CCC[C@H](C)c1cnc(NC(=O)C2CC(NC#N)C2)s1
InChIInChI=1S/C15H20N4OS/c1-3-4-5-10(2)13-8-17-15(21-13)19-14(20)11-6-12(7-11)18-9-16/h3,8,10-12,18H,1,4-7H2,2H3,(H,17,19,20)/t10-,11?,12?/m0/s1
InChIKeyZHGLZMFZLIJIRN-UNXYVOJBSA-N
MW304.42 g/mol
LogP3.00
Rot. Bonds7

About 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide

3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide (PubChem CID 166970127) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
PubChem CID166970127
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
SMILESC=CCC[C@H](C)c1cnc(NC(=O)C2CC(NC#N)C2)s1
InChIInChI=1S/C15H20N4OS/c1-3-4-5-10(2)13-8-17-15(21-13)19-14(20)11-6-12(7-11)18-9-16/h3,8,10-12,18H,1,4-7H2,2H3,(H,17,19,20)/t10-,11?,12?/m0/s1
InChIKeyZHGLZMFZLIJIRN-UNXYVOJBSA-N
XLogP3.00
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide 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

N-[5-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-3-(cyanoamino)cyclobutane-1-carboxamide
CID 166970134
trans-(1R,3R)-3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 175972573
3-(cyanoamino)-N-[5-(1,3-oxazolidin-4-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 175514493
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-[5-(6-methylhept-5-en-2-yl)-1,3-thiazol-2-yl]pentanamide
CID 72649623
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
3-(cyanoamino)-N-(7-cyclobutyloxy-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
CID 155164788
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)cyclobutane-1-carboxamide
CID 155164808
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238
(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 138529996
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate
CID 142440517

Frequently Asked Questions

What is the IUPAC name of 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide (CID 166970127) is 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide is C=CCC[C@H](C)c1cnc(NC(=O)C2CC(NC#N)C2)s1.
What is the InChIKey of 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
The InChIKey is ZHGLZMFZLIJIRN-UNXYVOJBSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-4-5-10(2)13-8-17-15(21-13)19-14(20)11-6-12(7-11)18-9-16/h3,8,10-12,18H,1,4-7H2,2H3,(H,17,19,20)/t10-,11?,12?/m0/s1.
What are the key properties of 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanoamino)-N-[5-[(2S)-hex-5-en-2-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166970127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).