2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C8H8N4OS — CID 87002249

IUPAC2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(N)=O)cs2)cn1
InChIInChI=1S/C8H8N4OS/c1-12-3-5(2-10-12)8-11-6(4-14-8)7(9)13/h2-4H,1H3,(H2,9,13)
InChIKeyUZIDDUOXHLHQJO-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.64
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 87002249) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID87002249
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(N)=O)cs2)cn1
InChIInChI=1S/C8H8N4OS/c1-12-3-5(2-10-12)8-11-6(4-14-8)7(9)13/h2-4H,1H3,(H2,9,13)
InChIKeyUZIDDUOXHLHQJO-UHFFFAOYSA-N
XLogP0.64
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 87002249) is 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(N)=O)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UZIDDUOXHLHQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-12-3-5(2-10-12)8-11-6(4-14-8)7(9)13/h2-4H,1H3,(H2,9,13).
What are the key properties of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87002249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).