3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide

C13H18F3N3OS — CID 42944897

IUPAC3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3OS/c1-7-10(12(17-2)21-19-7)11(20)18-9-5-3-4-8(6-9)13(14,15)16/h8-9,17H,3-6H2,1-2H3,(H,18,20)
InChIKeyKPFPBBRXOZRSOF-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide (PubChem CID 42944897) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
PubChem CID42944897
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3OS/c1-7-10(12(17-2)21-19-7)11(20)18-9-5-3-4-8(6-9)13(14,15)16/h8-9,17H,3-6H2,1-2H3,(H,18,20)
InChIKeyKPFPBBRXOZRSOF-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide (CID 42944897) is 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide?
The InChIKey is KPFPBBRXOZRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-7-10(12(17-2)21-19-7)11(20)18-9-5-3-4-8(6-9)13(14,15)16/h8-9,17H,3-6H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 42944897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).