N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C16H16F3N3OS — CID 119616726

IUPACN-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCC(NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C1CC1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)11-3-1-2-10(6-11)15-22-13(8-24-15)14(23)21-12(7-20)9-4-5-9/h1-3,6,8-9,12H,4-5,7,20H2,(H,21,23)
InChIKeyLJOIREXHPCJXJO-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.30
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 119616726) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID119616726
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCC(NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C1CC1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)11-3-1-2-10(6-11)15-22-13(8-24-15)14(23)21-12(7-20)9-4-5-9/h1-3,6,8-9,12H,4-5,7,20H2,(H,21,23)
InChIKeyLJOIREXHPCJXJO-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 119616726) is N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is NCC(NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LJOIREXHPCJXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c17-16(18,19)11-3-1-2-10(6-11)15-22-13(8-24-15)14(23)21-12(7-20)9-4-5-9/h1-3,6,8-9,12H,4-5,7,20H2,(H,21,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119616726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).