2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C17H18F3N3OS — CID 87486258

IUPAC2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2C2CCCCC2)s1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)14-13(25-16(21)23-14)15(24)22-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,21,23)(H,22,24)
InChIKeyJRSUAVJDTOPZES-UHFFFAOYSA-N
MW369.41 g/mol
LogP5.04
Rot. Bonds3

About 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 87486258) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID87486258
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2C2CCCCC2)s1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)14-13(25-16(21)23-14)15(24)22-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,21,23)(H,22,24)
InChIKeyJRSUAVJDTOPZES-UHFFFAOYSA-N
XLogP5.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 87486258) is 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Nc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2C2CCCCC2)s1.
What is the InChIKey of 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JRSUAVJDTOPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c18-17(19,20)14-13(25-16(21)23-14)15(24)22-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclohexylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87486258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).