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

C11H13F3N2OS — CID 55143627

IUPACN-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cscn1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)7-3-1-2-4-8(7)16-10(17)9-5-18-6-15-9/h5-8H,1-4H2,(H,16,17)
InChIKeyKYBIMQXINGTWSG-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.99
Rot. Bonds2

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

N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 55143627) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID55143627
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cscn1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)7-3-1-2-4-8(7)16-10(17)9-5-18-6-15-9/h5-8H,1-4H2,(H,16,17)
InChIKeyKYBIMQXINGTWSG-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 55143627) is N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1cscn1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KYBIMQXINGTWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c12-11(13,14)7-3-1-2-4-8(7)16-10(17)9-5-18-6-15-9/h5-8H,1-4H2,(H,16,17).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55143627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).