2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole

C7H6ClN3S3 — CID 164650580

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Sc2nc(Cl)cs2)s1
InChIInChI=1S/C7H6ClN3S3/c1-2-5-10-11-7(13-5)14-6-9-4(8)3-12-6/h3H,2H2,1H3
InChIKeyHGCAWLHFBKEXJU-UHFFFAOYSA-N
MW263.80 g/mol
LogP3.36
Rot. Bonds3

About 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole

2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole (PubChem CID 164650580) has the molecular formula C7H6ClN3S3 and a molecular weight of 263.80 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole
PubChem CID164650580
Molecular FormulaC7H6ClN3S3
Molecular Weight263.80 g/mol
Exact Mass262.94
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Sc2nc(Cl)cs2)s1
InChIInChI=1S/C7H6ClN3S3/c1-2-5-10-11-7(13-5)14-6-9-4(8)3-12-6/h3H,2H2,1H3
InChIKeyHGCAWLHFBKEXJU-UHFFFAOYSA-N
XLogP3.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.80
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole (CID 164650580) is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole is CCc1nnc(Sc2nc(Cl)cs2)s1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole?
The InChIKey is HGCAWLHFBKEXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S3/c1-2-5-10-11-7(13-5)14-6-9-4(8)3-12-6/h3H,2H2,1H3.
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole?
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole has a molecular weight of 263.80 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 164650580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).