3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole

C7H5ClN4S2 — CID 61382885

IUPAC3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole
SMILESCc1cnc(Sc2nsnc2Cl)nc1
InChIInChI=1S/C7H5ClN4S2/c1-4-2-9-7(10-3-4)13-6-5(8)11-14-12-6/h2-3H,1H3
InChIKeyUTLGZNGPOZIAHQ-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.44
Rot. Bonds2

About 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole

3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole (PubChem CID 61382885) has the molecular formula C7H5ClN4S2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole
PubChem CID61382885
Molecular FormulaC7H5ClN4S2
Molecular Weight244.73 g/mol
Exact Mass243.96
IUPAC Name3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole
SMILESCc1cnc(Sc2nsnc2Cl)nc1
InChIInChI=1S/C7H5ClN4S2/c1-4-2-9-7(10-3-4)13-6-5(8)11-14-12-6/h2-3H,1H3
InChIKeyUTLGZNGPOZIAHQ-UHFFFAOYSA-N
XLogP2.44
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole (CID 61382885) is 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole is Cc1cnc(Sc2nsnc2Cl)nc1.
What is the InChIKey of 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole?
The InChIKey is UTLGZNGPOZIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S2/c1-4-2-9-7(10-3-4)13-6-5(8)11-14-12-6/h2-3H,1H3.
What are the key properties of 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole?
3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole has a molecular weight of 244.73 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 61382885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).