3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole

C14H10N6S2 — CID 67550702

IUPAC3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole
SMILESCc1csc(-c2n[nH]nc2-c2cccc(-c3cnsn3)c2)n1
InChIInChI=1S/C14H10N6S2/c1-8-7-21-14(16-8)13-12(17-20-18-13)10-4-2-3-9(5-10)11-6-15-22-19-11/h2-7H,1H3,(H,17,18,20)
InChIKeyARKOENZAHMGUTB-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.42
Rot. Bonds3

About 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole

3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole (PubChem CID 67550702) has the molecular formula C14H10N6S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole
PubChem CID67550702
Molecular FormulaC14H10N6S2
Molecular Weight326.41 g/mol
Exact Mass326.04
IUPAC Name3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole
SMILESCc1csc(-c2n[nH]nc2-c2cccc(-c3cnsn3)c2)n1
InChIInChI=1S/C14H10N6S2/c1-8-7-21-14(16-8)13-12(17-20-18-13)10-4-2-3-9(5-10)11-6-15-22-19-11/h2-7H,1H3,(H,17,18,20)
InChIKeyARKOENZAHMGUTB-UHFFFAOYSA-N
XLogP3.42
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole
CID 69351411
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
CID 138453473
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568
4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
CID 142183458
2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 58578158
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-5-phenylchromene-2-carboxylic acid
CID 68616372
5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136739044
[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152579
N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774062
4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole
CID 119081786
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole (CID 67550702) is 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole is Cc1csc(-c2n[nH]nc2-c2cccc(-c3cnsn3)c2)n1.
What is the InChIKey of 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole?
The InChIKey is ARKOENZAHMGUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S2/c1-8-7-21-14(16-8)13-12(17-20-18-13)10-4-2-3-9(5-10)11-6-15-22-19-11/h2-7H,1H3,(H,17,18,20).
What are the key properties of 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole?
3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole has a molecular weight of 326.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(4-methyl-1,3-thiazol-2-yl)-2H-triazol-4-yl]phenyl]-1,2,5-thiadiazole is sourced from PubChem (CID 67550702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).