N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C17H11F2N5OS2 — CID 55786770

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cs2)cn1
InChIInChI=1S/C17H11F2N5OS2/c1-24-6-10(5-20-24)16-21-14(8-26-16)15(25)23-17-22-13(7-27-17)9-2-3-11(18)12(19)4-9/h2-8H,1H3,(H,22,23,25)
InChIKeyIKKVCTUGNPJBDW-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.20
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55786770) has the molecular formula C17H11F2N5OS2 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55786770
Molecular FormulaC17H11F2N5OS2
Molecular Weight403.44 g/mol
Exact Mass403.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cs2)cn1
InChIInChI=1S/C17H11F2N5OS2/c1-24-6-10(5-20-24)16-21-14(8-26-16)15(25)23-17-22-13(7-27-17)9-2-3-11(18)12(19)4-9/h2-8H,1H3,(H,22,23,25)
InChIKeyIKKVCTUGNPJBDW-UHFFFAOYSA-N
XLogP4.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55786770) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cs2)cn1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IKKVCTUGNPJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5OS2/c1-24-6-10(5-20-24)16-21-14(8-26-16)15(25)23-17-22-13(7-27-17)9-2-3-11(18)12(19)4-9/h2-8H,1H3,(H,22,23,25).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55786770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).