6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C17H18F3N3O2S — CID 71105605

IUPAC6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C17H18F3N3O2S/c1-16(2,15-21-7-8-26-15)23-13(24)12-6-5-11(17(18,19)20)14(22-12)25-9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyPBGTZDBBZPCTJF-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.01
Rot. Bonds6

About 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 71105605) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID71105605
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C17H18F3N3O2S/c1-16(2,15-21-7-8-26-15)23-13(24)12-6-5-11(17(18,19)20)14(22-12)25-9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyPBGTZDBBZPCTJF-UHFFFAOYSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 71105605) is 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)c1nccs1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PBGTZDBBZPCTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-16(2,15-21-7-8-26-15)23-13(24)12-6-5-11(17(18,19)20)14(22-12)25-9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,23,24).
What are the key properties of 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).