5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole

C10H13N3S — CID 162647335

IUPAC5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
SMILESCCc1cc(-c2sc(C)nc2C)n[nH]1
InChIInChI=1S/C10H13N3S/c1-4-8-5-9(13-12-8)10-6(2)11-7(3)14-10/h5H,4H2,1-3H3,(H,12,13)
InChIKeyVQJUIGCHJWOHIB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.71
Rot. Bonds2

About 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole

5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole (PubChem CID 162647335) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
PubChem CID162647335
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
SMILESCCc1cc(-c2sc(C)nc2C)n[nH]1
InChIInChI=1S/C10H13N3S/c1-4-8-5-9(13-12-8)10-6(2)11-7(3)14-10/h5H,4H2,1-3H3,(H,12,13)
InChIKeyVQJUIGCHJWOHIB-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole (CID 162647335) is 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole is CCc1cc(-c2sc(C)nc2C)n[nH]1.
What is the InChIKey of 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is VQJUIGCHJWOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-4-8-5-9(13-12-8)10-6(2)11-7(3)14-10/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 207.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 162647335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).