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

C12H16F3N3OS — CID 66376475

IUPAC2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)7-2-1-3-8(4-7)17-11(19)9-6-20-10(5-16)18-9/h6-8H,1-5,16H2,(H,17,19)
InChIKeyXYROJSZUCVUUQA-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.45
Rot. Bonds3

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

2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 66376475) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID66376475
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)7-2-1-3-8(4-7)17-11(19)9-6-20-10(5-16)18-9/h6-8H,1-5,16H2,(H,17,19)
InChIKeyXYROJSZUCVUUQA-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 66376475) is 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NC2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XYROJSZUCVUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)7-2-1-3-8(4-7)17-11(19)9-6-20-10(5-16)18-9/h6-8H,1-5,16H2,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).