N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C18H14N4OS2 — CID 2336083

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1
InChIInChI=1S/C18H14N4OS2/c1-12-11-25-18(19-12)20-17(23)14-10-22(13-6-3-2-4-7-13)21-16(14)15-8-5-9-24-15/h2-11H,1H3,(H,19,20,23)
InChIKeyRIHFTVXEGWEOQF-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.62
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2336083) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2336083
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1
InChIInChI=1S/C18H14N4OS2/c1-12-11-25-18(19-12)20-17(23)14-10-22(13-6-3-2-4-7-13)21-16(14)15-8-5-9-24-15/h2-11H,1H3,(H,19,20,23)
InChIKeyRIHFTVXEGWEOQF-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2336083) is N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is RIHFTVXEGWEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-12-11-25-18(19-12)20-17(23)14-10-22(13-6-3-2-4-7-13)21-16(14)15-8-5-9-24-15/h2-11H,1H3,(H,19,20,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2336083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).