2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C10H12N4OS — CID 117091985

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(N)=O)s1
InChIInChI=1S/C10H12N4OS/c1-5-8(6(2)14(3)13-5)10-12-4-7(16-10)9(11)15/h4H,1-3H3,(H2,11,15)
InChIKeyCIHMZRJBWUBPRT-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.26
Rot. Bonds2

About 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117091985) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID117091985
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(N)=O)s1
InChIInChI=1S/C10H12N4OS/c1-5-8(6(2)14(3)13-5)10-12-4-7(16-10)9(11)15/h4H,1-3H3,(H2,11,15)
InChIKeyCIHMZRJBWUBPRT-UHFFFAOYSA-N
XLogP1.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 117091985) is 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nn(C)c(C)c1-c1ncc(C(N)=O)s1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CIHMZRJBWUBPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-5-8(6(2)14(3)13-5)10-12-4-7(16-10)9(11)15/h4H,1-3H3,(H2,11,15).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117091985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).