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

C15H20N4OS — CID 75522299

IUPAC4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(NC(=O)c2scnc2C2CCCC2)c1C
InChIInChI=1S/C15H20N4OS/c1-9-10(2)18-19(3)14(9)17-15(20)13-12(16-8-21-13)11-6-4-5-7-11/h8,11H,4-7H2,1-3H3,(H,17,20)
InChIKeyMCLKHIUIHHAHIK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.40
Rot. Bonds3

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

4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 75522299) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID75522299
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(NC(=O)c2scnc2C2CCCC2)c1C
InChIInChI=1S/C15H20N4OS/c1-9-10(2)18-19(3)14(9)17-15(20)13-12(16-8-21-13)11-6-4-5-7-11/h8,11H,4-7H2,1-3H3,(H,17,20)
InChIKeyMCLKHIUIHHAHIK-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 75522299) is 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is Cc1nn(C)c(NC(=O)c2scnc2C2CCCC2)c1C.
What is the InChIKey of 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MCLKHIUIHHAHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-10(2)18-19(3)14(9)17-15(20)13-12(16-8-21-13)11-6-4-5-7-11/h8,11H,4-7H2,1-3H3,(H,17,20).
What are the key properties of 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(2,4,5-trimethylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75522299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).