3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C17H14N4OS2 — CID 2102506

IUPAC3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1
InChIInChI=1S/C17H14N4OS2/c1-10-9-18-17(23-10)19-15(22)14-8-13-11(2)20-21(16(13)24-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19,22)
InChIKeyAXMYICLOWJCRNN-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.41
Rot. Bonds3

About 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2102506) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2102506
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1
InChIInChI=1S/C17H14N4OS2/c1-10-9-18-17(23-10)19-15(22)14-8-13-11(2)20-21(16(13)24-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19,22)
InChIKeyAXMYICLOWJCRNN-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 2102506) is 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1cnc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1.
What is the InChIKey of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AXMYICLOWJCRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-10-9-18-17(23-10)19-15(22)14-8-13-11(2)20-21(16(13)24-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19,22).
What are the key properties of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2102506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).