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

C9H8N6S — CID 62944957

IUPAC4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCn1cc(-c2csc(-c3ncn[nH]3)n2)cn1
InChIInChI=1S/C9H8N6S/c1-15-3-6(2-12-15)7-4-16-9(13-7)8-10-5-11-14-8/h2-5H,1H3,(H,10,11,14)
InChIKeyJUEHXPATASMXPE-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.33
Rot. Bonds2

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

4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 62944957) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID62944957
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCn1cc(-c2csc(-c3ncn[nH]3)n2)cn1
InChIInChI=1S/C9H8N6S/c1-15-3-6(2-12-15)7-4-16-9(13-7)8-10-5-11-14-8/h2-5H,1H3,(H,10,11,14)
InChIKeyJUEHXPATASMXPE-UHFFFAOYSA-N
XLogP1.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944792
N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 106715777
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 55152978
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
4-(5-bromothiophen-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944454
4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 55084668
N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 99697962
2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol
CID 130501332
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 120558345
[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 55201232

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 62944957) is 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cn1cc(-c2csc(-c3ncn[nH]3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is JUEHXPATASMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-15-3-6(2-12-15)7-4-16-9(13-7)8-10-5-11-14-8/h2-5H,1H3,(H,10,11,14).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 232.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 62944957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).