2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide

C16H20N2O2S — CID 134020416

IUPAC2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H20N2O2S/c1-11-6-3-4-7-13(11)18(2)16(19)12-10-21-15(17-12)14-8-5-9-20-14/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeyWHNWUDUYGBRCIR-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.05
Rot. Bonds3

About 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 134020416) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID134020416
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H20N2O2S/c1-11-6-3-4-7-13(11)18(2)16(19)12-10-21-15(17-12)14-8-5-9-20-14/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeyWHNWUDUYGBRCIR-UHFFFAOYSA-N
XLogP4.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 134020416) is 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide is CC1CCCCC1N(C)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WHNWUDUYGBRCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-6-3-4-7-13(11)18(2)16(19)12-10-21-15(17-12)14-8-5-9-20-14/h5,8-11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134020416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).