N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide

C15H15F3N4O2S — CID 175568696

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cnsc2)nc1C(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2S/c1-24-10-4-5-11(20-9-6-19-25-7-9)21-12(10)14(23)22-13(8-2-3-8)15(16,17)18/h4-8,13H,2-3H2,1H3,(H,20,21)(H,22,23)
InChIKeyADEJGHAUGNFAOH-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.36
Rot. Bonds6

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide (PubChem CID 175568696) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide
PubChem CID175568696
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cnsc2)nc1C(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2S/c1-24-10-4-5-11(20-9-6-19-25-7-9)21-12(10)14(23)22-13(8-2-3-8)15(16,17)18/h4-8,13H,2-3H2,1H3,(H,20,21)(H,22,23)
InChIKeyADEJGHAUGNFAOH-UHFFFAOYSA-N
XLogP3.36
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide (CID 175568696) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide is COc1ccc(Nc2cnsc2)nc1C(=O)NC(C1CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide?
The InChIKey is ADEJGHAUGNFAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-24-10-4-5-11(20-9-6-19-25-7-9)21-12(10)14(23)22-13(8-2-3-8)15(16,17)18/h4-8,13H,2-3H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-methoxy-6-(1,2-thiazol-4-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 175568696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).