2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole

C10H13N3S — CID 63810056

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(-n2nc(C)cc2C)n1
InChIInChI=1S/C10H13N3S/c1-4-9-6-14-10(11-9)13-8(3)5-7(2)12-13/h5-6H,4H2,1-3H3
InChIKeyAAVJABQDMKVNTA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.51
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole

2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole (PubChem CID 63810056) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
PubChem CID63810056
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(-n2nc(C)cc2C)n1
InChIInChI=1S/C10H13N3S/c1-4-9-6-14-10(11-9)13-8(3)5-7(2)12-13/h5-6H,4H2,1-3H3
InChIKeyAAVJABQDMKVNTA-UHFFFAOYSA-N
XLogP2.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole (CID 63810056) is 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole is CCc1csc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole?
The InChIKey is AAVJABQDMKVNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-4-9-6-14-10(11-9)13-8(3)5-7(2)12-13/h5-6H,4H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole?
2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole has a molecular weight of 207.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole is sourced from PubChem (CID 63810056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).