4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C10H10N6S — CID 62944792

IUPAC4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCCn1cc(-c2csc(-c3ncn[nH]3)n2)cn1
InChIInChI=1S/C10H10N6S/c1-2-16-4-7(3-13-16)8-5-17-10(14-8)9-11-6-12-15-9/h3-6H,2H2,1H3,(H,11,12,15)
InChIKeyYGHXJBCSDKJIOM-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.81
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 62944792) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID62944792
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCCn1cc(-c2csc(-c3ncn[nH]3)n2)cn1
InChIInChI=1S/C10H10N6S/c1-2-16-4-7(3-13-16)8-5-17-10(14-8)9-11-6-12-15-9/h3-6H,2H2,1H3,(H,11,12,15)
InChIKeyYGHXJBCSDKJIOM-UHFFFAOYSA-N
XLogP1.81
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 62944792) is 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is CCn1cc(-c2csc(-c3ncn[nH]3)n2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is YGHXJBCSDKJIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-2-16-4-7(3-13-16)8-5-17-10(14-8)9-11-6-12-15-9/h3-6H,2H2,1H3,(H,11,12,15).
What are the key properties of 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 246.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 62944792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).