4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole

C10H6ClN3S3 — CID 18709225

IUPAC4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole
SMILESCc1nnc(Sc2nc3c(Cl)cccc3s2)s1
InChIInChI=1S/C10H6ClN3S3/c1-5-13-14-10(15-5)17-9-12-8-6(11)3-2-4-7(8)16-9/h2-4H,1H3
InChIKeyIHUVTQOJRHRCNR-UHFFFAOYSA-N
MW299.83 g/mol
LogP4.26
Rot. Bonds2

About 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole

4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole (PubChem CID 18709225) has the molecular formula C10H6ClN3S3 and a molecular weight of 299.83 g/mol. Its IUPAC name is 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole
PubChem CID18709225
Molecular FormulaC10H6ClN3S3
Molecular Weight299.83 g/mol
Exact Mass298.94
IUPAC Name4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole
SMILESCc1nnc(Sc2nc3c(Cl)cccc3s2)s1
InChIInChI=1S/C10H6ClN3S3/c1-5-13-14-10(15-5)17-9-12-8-6(11)3-2-4-7(8)16-9/h2-4H,1H3
InChIKeyIHUVTQOJRHRCNR-UHFFFAOYSA-N
XLogP4.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole (CID 18709225) is 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole is Cc1nnc(Sc2nc3c(Cl)cccc3s2)s1.
What is the InChIKey of 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole?
The InChIKey is IHUVTQOJRHRCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S3/c1-5-13-14-10(15-5)17-9-12-8-6(11)3-2-4-7(8)16-9/h2-4H,1H3.
What are the key properties of 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole?
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole has a molecular weight of 299.83 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole is sourced from PubChem (CID 18709225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).