N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C15H18N2OS2 — CID 36662960

IUPACN-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2ccsc2)n1)C1CCCCC1
InChIInChI=1S/C15H18N2OS2/c1-17(12-5-3-2-4-6-12)15(18)13-10-20-14(16-13)11-7-8-19-9-11/h7-10,12H,2-6H2,1H3
InChIKeyDBYHNIRZZKXTJE-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.28
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 36662960) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID36662960
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2ccsc2)n1)C1CCCCC1
InChIInChI=1S/C15H18N2OS2/c1-17(12-5-3-2-4-6-12)15(18)13-10-20-14(16-13)11-7-8-19-9-11/h7-10,12H,2-6H2,1H3
InChIKeyDBYHNIRZZKXTJE-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 36662960) is N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(-c2ccsc2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DBYHNIRZZKXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-17(12-5-3-2-4-6-12)15(18)13-10-20-14(16-13)11-7-8-19-9-11/h7-10,12H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 306.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36662960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).