2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C17H13N5O2S — CID 167878705

IUPAC2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cnc(-c3ccoc3)s2)c(-c2ccccn2)n1
InChIInChI=1S/C17H13N5O2S/c1-22-9-13(15(21-22)12-4-2-3-6-18-12)20-16(23)14-8-19-17(25-14)11-5-7-24-10-11/h2-10H,1H3,(H,20,23)
InChIKeyMFFGOAQTNHKBRF-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.45
Rot. Bonds4

About 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 167878705) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID167878705
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cnc(-c3ccoc3)s2)c(-c2ccccn2)n1
InChIInChI=1S/C17H13N5O2S/c1-22-9-13(15(21-22)12-4-2-3-6-18-12)20-16(23)14-8-19-17(25-14)11-5-7-24-10-11/h2-10H,1H3,(H,20,23)
InChIKeyMFFGOAQTNHKBRF-UHFFFAOYSA-N
XLogP3.45
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 167878705) is 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cn1cc(NC(=O)c2cnc(-c3ccoc3)s2)c(-c2ccccn2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MFFGOAQTNHKBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-22-9-13(15(21-22)12-4-2-3-6-18-12)20-16(23)14-8-19-17(25-14)11-5-7-24-10-11/h2-10H,1H3,(H,20,23).
What are the key properties of 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167878705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).