N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

C15H13F3N2O3S — CID 155543543

IUPACN-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(C(O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)23-10-3-1-2-8(6-10)12(21)14-20-11(7-24-14)13(22)19-9-4-5-9/h1-3,6-7,9,12,21H,4-5H2,(H,19,22)
InChIKeyNLVWVIPVFAGZFB-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.02
Rot. Bonds5

About N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 155543543) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID155543543
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(C(O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)23-10-3-1-2-8(6-10)12(21)14-20-11(7-24-14)13(22)19-9-4-5-9/h1-3,6-7,9,12,21H,4-5H2,(H,19,22)
InChIKeyNLVWVIPVFAGZFB-UHFFFAOYSA-N
XLogP3.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155510442
2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155557536
N-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712420
N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 46165214
2-methyl-N-(4-(3-(trifluoromethyl)phenoxy)but-2-yn-1-yl)thiazole-4-carboxamide
CID 71802991
N-(Propan-2-YL)-2-{[3-(trifluoromethyl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
CID 83280564
(3R*,4S*)-4-(3-methoxyphenyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]pyrrolidin-3-amine
CID 72920928
N-(4-chlorophenyl)-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 71729750
2-[(3-Methylphenoxy)methyl]-N-(propan-2-YL)-1,3-thiazole-4-carboxamide
CID 24712636
N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712812
2-(3-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42656612
N~4~-ethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656613

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 155543543) is N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(C(O)c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NLVWVIPVFAGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c16-15(17,18)23-10-3-1-2-8(6-10)12(21)14-20-11(7-24-14)13(22)19-9-4-5-9/h1-3,6-7,9,12,21H,4-5H2,(H,19,22).
What are the key properties of N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155543543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).