4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole

C11H10ClN5S2 — CID 18708678

IUPAC4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
SMILESCCCn1nnc(Sc2nc3c(Cl)cccc3s2)n1
InChIInChI=1S/C11H10ClN5S2/c1-2-6-17-15-10(14-16-17)19-11-13-9-7(12)4-3-5-8(9)18-11/h3-5H,2,6H2,1H3
InChIKeyDJYILVIIEDGACB-UHFFFAOYSA-N
MW311.82 g/mol
LogP3.50
Rot. Bonds4

About 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole

4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole (PubChem CID 18708678) has the molecular formula C11H10ClN5S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
PubChem CID18708678
Molecular FormulaC11H10ClN5S2
Molecular Weight311.82 g/mol
Exact Mass311.01
IUPAC Name4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
SMILESCCCn1nnc(Sc2nc3c(Cl)cccc3s2)n1
InChIInChI=1S/C11H10ClN5S2/c1-2-6-17-15-10(14-16-17)19-11-13-9-7(12)4-3-5-8(9)18-11/h3-5H,2,6H2,1H3
InChIKeyDJYILVIIEDGACB-UHFFFAOYSA-N
XLogP3.50
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole (CID 18708678) is 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole is CCCn1nnc(Sc2nc3c(Cl)cccc3s2)n1.
What is the InChIKey of 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
The InChIKey is DJYILVIIEDGACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5S2/c1-2-6-17-15-10(14-16-17)19-11-13-9-7(12)4-3-5-8(9)18-11/h3-5H,2,6H2,1H3.
What are the key properties of 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole has a molecular weight of 311.82 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole is sourced from PubChem (CID 18708678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).