2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

C7H6ClN5OS2 — CID 62859365

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C7H6ClN5OS2/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3
InChIKeyCQSRVBZHYWQSNW-UHFFFAOYSA-N
MW275.75 g/mol
LogP1.84
Rot. Bonds3

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 62859365) has the molecular formula C7H6ClN5OS2 and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID62859365
Molecular FormulaC7H6ClN5OS2
Molecular Weight275.75 g/mol
Exact Mass274.97
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C7H6ClN5OS2/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3
InChIKeyCQSRVBZHYWQSNW-UHFFFAOYSA-N
XLogP1.84
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (CID 62859365) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is COc1nc(Cl)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is CQSRVBZHYWQSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5OS2/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3.
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 275.75 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 62859365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).