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

C8H5N5S2 — CID 141279811

IUPAC2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1csc(-c2nc(-c3cn[nH]n3)cs2)n1
InChIInChI=1S/C8H5N5S2/c1-2-14-7(9-1)8-11-6(4-15-8)5-3-10-13-12-5/h1-4H,(H,10,12,13)
InChIKeyVXEZZLYCIGJZCF-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.05
Rot. Bonds2

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

2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 141279811) has the molecular formula C8H5N5S2 and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID141279811
Molecular FormulaC8H5N5S2
Molecular Weight235.30 g/mol
Exact Mass235.00
IUPAC Name2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1csc(-c2nc(-c3cn[nH]n3)cs2)n1
InChIInChI=1S/C8H5N5S2/c1-2-14-7(9-1)8-11-6(4-15-8)5-3-10-13-12-5/h1-4H,(H,10,12,13)
InChIKeyVXEZZLYCIGJZCF-UHFFFAOYSA-N
XLogP2.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-1,2,3-Triazol-4-yl)thiazole
CID 22401765
2,4-Bis(1,3-thiazol-5-yl)-1,3-thiazole
CID 13718934
2,5-Bis(1,3-thiazol-4-yl)-1,3-thiazole
CID 13718937
2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole
CID 20770512
2-methyl-5-(2H-triazol-4-yl)-1,3-thiazole
CID 20770514
5-(2H-triazol-4-yl)-1,3-thiazole
CID 89709560
4-(2H-triazol-4-yl)-1,3-thiazole
CID 119084105
1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole
CID 161770493
5-(1-Propan-2-yltriazol-4-yl)-1,3-thiazole
CID 168909740
2-Ethyl-5-(1-methyltriazol-4-yl)-1,3-thiazole
CID 169595065
2-hexyl-4-(2H-triazol-4-yl)-1,3-thiazole
CID 174972228
[1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62053977

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole (CID 141279811) is 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole is c1csc(-c2nc(-c3cn[nH]n3)cs2)n1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is VXEZZLYCIGJZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S2/c1-2-14-7(9-1)8-11-6(4-15-8)5-3-10-13-12-5/h1-4H,(H,10,12,13).
What are the key properties of 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole?
2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 235.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 141279811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).