6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole

C12H9ClN2S — CID 91621445

IUPAC6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
SMILESClc1ccc2c(c1)SC(c1ccncc1)N2
InChIInChI=1S/C12H9ClN2S/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7,12,15H
InChIKeySLTLGDKZKGVNJZ-UHFFFAOYSA-N
MW248.74 g/mol
LogP3.95
Rot. Bonds1

About 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole

6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole (PubChem CID 91621445) has the molecular formula C12H9ClN2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
PubChem CID91621445
Molecular FormulaC12H9ClN2S
Molecular Weight248.74 g/mol
Exact Mass248.02
IUPAC Name6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
SMILESClc1ccc2c(c1)SC(c1ccncc1)N2
InChIInChI=1S/C12H9ClN2S/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7,12,15H
InChIKeySLTLGDKZKGVNJZ-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole (CID 91621445) is 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole is Clc1ccc2c(c1)SC(c1ccncc1)N2.
What is the InChIKey of 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is SLTLGDKZKGVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7,12,15H.
What are the key properties of 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 248.74 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 91621445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).