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

C12H16N4OS — CID 24659019

IUPAC2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H16N4OS/c1-6-10(8(3)16(5)15-6)14-12(17)11-7(2)13-9(4)18-11/h1-5H3,(H,14,17)
InChIKeyXAVMWSIGXACHPO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.36
Rot. Bonds2

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

2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 24659019) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID24659019
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H16N4OS/c1-6-10(8(3)16(5)15-6)14-12(17)11-7(2)13-9(4)18-11/h1-5H3,(H,14,17)
InChIKeyXAVMWSIGXACHPO-UHFFFAOYSA-N
XLogP2.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 24659019) is 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2c(C)nn(C)c2C)s1.
What is the InChIKey of 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XAVMWSIGXACHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6-10(8(3)16(5)15-6)14-12(17)11-7(2)13-9(4)18-11/h1-5H3,(H,14,17).
What are the key properties of 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24659019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).