4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide

C18H12F4N4OS — CID 171096301

IUPAC4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1snc(-c2cncc(F)c2)c1C1CC1
InChIInChI=1S/C18H12F4N4OS/c19-11-5-10(7-23-8-11)15-14(9-1-2-9)16(28-26-15)17(27)25-12-3-4-24-13(6-12)18(20,21)22/h3-9H,1-2H2,(H,24,25,27)
InChIKeyZOTSGMRRXVHAMK-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.89
Rot. Bonds4

About 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide

4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide (PubChem CID 171096301) has the molecular formula C18H12F4N4OS and a molecular weight of 408.38 g/mol. Its IUPAC name is 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
PubChem CID171096301
Molecular FormulaC18H12F4N4OS
Molecular Weight408.38 g/mol
Exact Mass408.07
IUPAC Name4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1snc(-c2cncc(F)c2)c1C1CC1
InChIInChI=1S/C18H12F4N4OS/c19-11-5-10(7-23-8-11)15-14(9-1-2-9)16(28-26-15)17(27)25-12-3-4-24-13(6-12)18(20,21)22/h3-9H,1-2H2,(H,24,25,27)
InChIKeyZOTSGMRRXVHAMK-UHFFFAOYSA-N
XLogP4.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide (CID 171096301) is 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1snc(-c2cncc(F)c2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
The InChIKey is ZOTSGMRRXVHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4OS/c19-11-5-10(7-23-8-11)15-14(9-1-2-9)16(28-26-15)17(27)25-12-3-4-24-13(6-12)18(20,21)22/h3-9H,1-2H2,(H,24,25,27).
What are the key properties of 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(5-fluoro-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 171096301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).