N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H12F2N4O2S2 — CID 19509204

About N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509204) has the molecular formula C18H12F2N4O2S2 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
• PubChem CID: 19509204
• Molecular Formula: C18H12F2N4O2S2
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.04
• IUPAC Name: N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc(-c2cccs2)[nH]n1
• InChI: InChI=1S/C18H12F2N4O2S2/c19-17(20)26-11-5-3-10(4-6-11)14-9-28-18(21-14)22-16(25)13-8-12(23-24-13)15-2-1-7-27-15/h1-9,17H,(H,23,24)(H,21,22,25)
• InChIKey: VPIIHAVGNVMKLC-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509204) is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc(-c2cccs2)[nH]n1.

What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

The InChIKey is VPIIHAVGNVMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S2/c19-17(20)26-11-5-3-10(4-6-11)14-9-28-18(21-14)22-16(25)13-8-12(23-24-13)15-2-1-7-27-15/h1-9,17H,(H,23,24)(H,21,22,25).

What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).