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

C17H14N4O2S2 — CID 71795401

IUPAC5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H14N4O2S2/c1-10-15(25-17(19-10)14-5-3-7-24-14)9-18-16(22)12-8-11(20-21-12)13-4-2-6-23-13/h2-8H,9H2,1H3,(H,18,22)(H,20,21)
InChIKeyJKFCHLGVFMPFLW-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.09
Rot. Bonds5

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

5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 71795401) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID71795401
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H14N4O2S2/c1-10-15(25-17(19-10)14-5-3-7-24-14)9-18-16(22)12-8-11(20-21-12)13-4-2-6-23-13/h2-8H,9H2,1H3,(H,18,22)(H,20,21)
InChIKeyJKFCHLGVFMPFLW-UHFFFAOYSA-N
XLogP4.09
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide (CID 71795401) is 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1nc(-c2cccs2)sc1CNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is JKFCHLGVFMPFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-10-15(25-17(19-10)14-5-3-7-24-14)9-18-16(22)12-8-11(20-21-12)13-4-2-6-23-13/h2-8H,9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71795401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).