4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

C13H16N4OS — CID 127679522

IUPAC4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2scnc2C2CC2)c1C
InChIInChI=1S/C13H16N4OS/c1-3-9-7(2)12(17-16-9)15-13(18)11-10(8-4-5-8)14-6-19-11/h6,8H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyTUDKVVOWKOIBTB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.87
Rot. Bonds4

About 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 127679522) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID127679522
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2scnc2C2CC2)c1C
InChIInChI=1S/C13H16N4OS/c1-3-9-7(2)12(17-16-9)15-13(18)11-10(8-4-5-8)14-6-19-11/h6,8H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyTUDKVVOWKOIBTB-UHFFFAOYSA-N
XLogP2.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 127679522) is 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is CCc1[nH]nc(NC(=O)c2scnc2C2CC2)c1C.
What is the InChIKey of 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is TUDKVVOWKOIBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-9-7(2)12(17-16-9)15-13(18)11-10(8-4-5-8)14-6-19-11/h6,8H,3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 127679522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).