2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide

C13H16F3N3O2S — CID 131960937

IUPAC2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H16F3N3O2S/c14-13(15,16)8-3-1-7(2-4-8)5-10(20)19-12-18-6-9(22-12)11(17)21/h6-8H,1-5H2,(H2,17,21)(H,18,19,20)
InChIKeyLLBXUIZNTYJWFF-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.94
Rot. Bonds4

About 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide

2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 131960937) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID131960937
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC Name2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H16F3N3O2S/c14-13(15,16)8-3-1-7(2-4-8)5-10(20)19-12-18-6-9(22-12)11(17)21/h6-8H,1-5H2,(H2,17,21)(H,18,19,20)
InChIKeyLLBXUIZNTYJWFF-UHFFFAOYSA-N
XLogP2.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide (CID 131960937) is 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)CC2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is LLBXUIZNTYJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c14-13(15,16)8-3-1-7(2-4-8)5-10(20)19-12-18-6-9(22-12)11(17)21/h6-8H,1-5H2,(H2,17,21)(H,18,19,20).
What are the key properties of 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide?
2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131960937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).