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

C9H8N6S — CID 106758880

IUPAC4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCn1nccc1-c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C9H8N6S/c1-15-7(2-3-12-15)6-4-16-9(13-6)8-10-5-11-14-8/h2-5H,1H3,(H,10,11,14)
InChIKeyQRVYGUDLAILJEZ-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.33
Rot. Bonds2

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

4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 106758880) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID106758880
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCn1nccc1-c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C9H8N6S/c1-15-7(2-3-12-15)6-4-16-9(13-6)8-10-5-11-14-8/h2-5H,1H3,(H,10,11,14)
InChIKeyQRVYGUDLAILJEZ-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-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944957
2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
CID 137000832
4-(5-bromothiophen-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944454
4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944792
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
CID 126838147
4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 55152978
2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122154728
3-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 63152144
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114
(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 167896651
2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 130162444

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 106758880) is 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cn1nccc1-c1csc(-c2ncn[nH]2)n1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is QRVYGUDLAILJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-15-7(2-3-12-15)6-4-16-9(13-6)8-10-5-11-14-8/h2-5H,1H3,(H,10,11,14).
What are the key properties of 4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 106758880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).