5-chloro-4-methylthiadiazole

C3H3ClN2S — CID 1478445

IUPAC5-chloro-4-methylthiadiazole
SMILESCc1nnsc1Cl
InChIInChI=1S/C3H3ClN2S/c1-2-3(4)7-6-5-2/h1H3
InChIKeyRRQBJFBRLOWLJR-UHFFFAOYSA-N
MW134.59 g/mol
LogP1.50
Rot. Bonds

About 5-chloro-4-methylthiadiazole

5-chloro-4-methylthiadiazole (PubChem CID 1478445) has the molecular formula C3H3ClN2S and a molecular weight of 134.59 g/mol. Its IUPAC name is 5-chloro-4-methylthiadiazole.

Molecular Properties

Compound Name5-chloro-4-methylthiadiazole
PubChem CID1478445
Molecular FormulaC3H3ClN2S
Molecular Weight134.59 g/mol
Exact Mass133.97
IUPAC Name5-chloro-4-methylthiadiazole
SMILESCc1nnsc1Cl
InChIInChI=1S/C3H3ClN2S/c1-2-3(4)7-6-5-2/h1H3
InChIKeyRRQBJFBRLOWLJR-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.59
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2797490
CID 2797490
CID 61374573
CID 61374573
CID 17930866
CID 17930866
CID 20774364
CID 20774364
CID 61023846
CID 61023846
CID 81229740
CID 81229740
CID 64786414
CID 64786414
CID 153788704
CID 153788704

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylthiadiazole?
The IUPAC name of 5-chloro-4-methylthiadiazole (CID 1478445) is 5-chloro-4-methylthiadiazole.
What is the SMILES notation for 5-chloro-4-methylthiadiazole?
The canonical SMILES for 5-chloro-4-methylthiadiazole is Cc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-methylthiadiazole?
The InChIKey is RRQBJFBRLOWLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2S/c1-2-3(4)7-6-5-2/h1H3.
What are the key properties of 5-chloro-4-methylthiadiazole?
5-chloro-4-methylthiadiazole has a molecular weight of 134.59 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylthiadiazole is sourced from PubChem (CID 1478445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).