N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C17H13FN6OS — CID 165130057

IUPACN-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN6OS/c1-24-8-13(15(23-24)10-2-4-12(18)5-3-10)21-16(25)14-9-26-17(22-14)11-6-19-20-7-11/h2-9H,1H3,(H,19,20)(H,21,25)
InChIKeyAQLDUNCOSGWTGD-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.33
Rot. Bonds4

About N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130057) has the molecular formula C17H13FN6OS and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130057
Molecular FormulaC17H13FN6OS
Molecular Weight368.40 g/mol
Exact Mass368.09
IUPAC NameN-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN6OS/c1-24-8-13(15(23-24)10-2-4-12(18)5-3-10)21-16(25)14-9-26-17(22-14)11-6-19-20-7-11/h2-9H,1H3,(H,19,20)(H,21,25)
InChIKeyAQLDUNCOSGWTGD-UHFFFAOYSA-N
XLogP3.33
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130057) is N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AQLDUNCOSGWTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6OS/c1-24-8-13(15(23-24)10-2-4-12(18)5-3-10)21-16(25)14-9-26-17(22-14)11-6-19-20-7-11/h2-9H,1H3,(H,19,20)(H,21,25).
What are the key properties of N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).