N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

C16H16F3N3O3S — CID 16955212

IUPACN-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)25-11-5-3-10(4-6-11)21-15-22-13(9-26-15)14(23)20-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H,20,23)(H,21,22)
InChIKeyLHJKGWZJGQSYDR-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.69
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (PubChem CID 16955212) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
PubChem CID16955212
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)25-11-5-3-10(4-6-11)21-15-22-13(9-26-15)14(23)20-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H,20,23)(H,21,22)
InChIKeyLHJKGWZJGQSYDR-UHFFFAOYSA-N
XLogP3.69
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (CID 16955212) is N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is O=C(NCC1CCCO1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The InChIKey is LHJKGWZJGQSYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c17-16(18,19)25-11-5-3-10(4-6-11)21-15-22-13(9-26-15)14(23)20-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H,20,23)(H,21,22).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).