N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C14H17N3OS — CID 110849180

IUPACN-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1csc2nccn12
InChIInChI=1S/C14H17N3OS/c18-13(12-10-19-14-16-8-9-17(12)14)15-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H,15,18)
InChIKeyMGKAAAUVWHYZDL-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 110849180) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID110849180
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1csc2nccn12
InChIInChI=1S/C14H17N3OS/c18-13(12-10-19-14-16-8-9-17(12)14)15-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H,15,18)
InChIKeyMGKAAAUVWHYZDL-UHFFFAOYSA-N
XLogP3.02
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-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-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62046502
N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704348
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248322
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
N-[2-(cyclohexen-1-yl)ethyl]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 39082781
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342498
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 122175911
4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63101773

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 110849180) is N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCCC1=CCCCC1)c1csc2nccn12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is MGKAAAUVWHYZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(12-10-19-14-16-8-9-17(12)14)15-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H,15,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 110849180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).