N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H14F2N4O2S — CID 55889105

IUPACN-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)cs2)cn1
InChIInChI=1S/C19H14F2N4O2S/c1-24-9-12(8-22-24)18-23-16(11-28-18)19(26)25(10-14-3-2-6-27-14)17-5-4-13(20)7-15(17)21/h2-9,11H,10H2,1H3
InChIKeyRSXGNFYENZMRQQ-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.26
Rot. Bonds5

About N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55889105) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55889105
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC NameN-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)cs2)cn1
InChIInChI=1S/C19H14F2N4O2S/c1-24-9-12(8-22-24)18-23-16(11-28-18)19(26)25(10-14-3-2-6-27-14)17-5-4-13(20)7-15(17)21/h2-9,11H,10H2,1H3
InChIKeyRSXGNFYENZMRQQ-UHFFFAOYSA-N
XLogP4.26
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55889105) is N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)cs2)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RSXGNFYENZMRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c1-24-9-12(8-22-24)18-23-16(11-28-18)19(26)25(10-14-3-2-6-27-14)17-5-4-13(20)7-15(17)21/h2-9,11H,10H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55889105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).