2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole

C10H5ClN2S3 — CID 83156623

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
SMILESClc1csc(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C10H5ClN2S3/c11-8-5-14-9(13-8)16-10-12-6-3-1-2-4-7(6)15-10/h1-5H
InChIKeyVKBWGQOZHMANTI-UHFFFAOYSA-N
MW284.82 g/mol
LogP4.56
Rot. Bonds2

About 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole

2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole (PubChem CID 83156623) has the molecular formula C10H5ClN2S3 and a molecular weight of 284.82 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
PubChem CID83156623
Molecular FormulaC10H5ClN2S3
Molecular Weight284.82 g/mol
Exact Mass283.93
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
SMILESClc1csc(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C10H5ClN2S3/c11-8-5-14-9(13-8)16-10-12-6-3-1-2-4-7(6)15-10/h1-5H
InChIKeyVKBWGQOZHMANTI-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.82
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloroaniline
CID 106891279
2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 22693192
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
2-(1,3-benzothiazol-2-ylsulfanyl)-6-chloropyridine-4-carbonitrile
CID 83077510
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3-benzothiazole
CID 103054998
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde
CID 1484909
2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
CID 18707851
2-(5-iodopyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 115620498

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole (CID 83156623) is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole is Clc1csc(Sc2nc3ccccc3s2)n1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole?
The InChIKey is VKBWGQOZHMANTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2S3/c11-8-5-14-9(13-8)16-10-12-6-3-1-2-4-7(6)15-10/h1-5H.
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole?
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole has a molecular weight of 284.82 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole is sourced from PubChem (CID 83156623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).