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

C16H18N2OS2 — CID 46628227

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H18N2OS2/c19-15(17-8-6-12-4-2-1-3-5-12)14-11-21-16(18-14)13-7-9-20-10-13/h4,7,9-11H,1-3,5-6,8H2,(H,17,19)
InChIKeyFFXMQAKVULSUEJ-UHFFFAOYSA-N
MW318.47 g/mol
LogP4.49
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 46628227) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID46628227
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H18N2OS2/c19-15(17-8-6-12-4-2-1-3-5-12)14-11-21-16(18-14)13-7-9-20-10-13/h4,7,9-11H,1-3,5-6,8H2,(H,17,19)
InChIKeyFFXMQAKVULSUEJ-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62046502
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2-(1-aminoethyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 3432872
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
2-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106175458
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 60537505
2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 3835694
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103877534

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 46628227) is N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(NCCC1=CCCCC1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FFXMQAKVULSUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c19-15(17-8-6-12-4-2-1-3-5-12)14-11-21-16(18-14)13-7-9-20-10-13/h4,7,9-11H,1-3,5-6,8H2,(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 4.49, 5 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]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46628227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).