N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide

C12H16N2OS — CID 62046502

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cscn1
InChIInChI=1S/C12H16N2OS/c15-12(11-8-16-9-14-11)13-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,13,15)
InChIKeyHHSKDLJBBUHIEL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 62046502) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID62046502
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cscn1
InChIInChI=1S/C12H16N2OS/c15-12(11-8-16-9-14-11)13-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,13,15)
InChIKeyHHSKDLJBBUHIEL-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342498
N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46628227
2-(1-aminoethyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 3432872
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110849180
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
2-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106175458
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[3-(dimethylamino)propyl]pyridine-2,4-dicarboxamide
CID 109081949
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109205535

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 62046502) is N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCC1=CCCCC1)c1cscn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HHSKDLJBBUHIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-12(11-8-16-9-14-11)13-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,13,15).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62046502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).