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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Related Compounds

(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84625720
5-methyl-2-pyridin-4-yl-2,3-dihydro-1,3-thiazol-4-ol
CID 144789948
2-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzothiazine
CID 84630156
(3aS,4S,9bR)-8-chloro-4-pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6541815
6-methoxy-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,3-benzothiazol-2-amine
CID 118411219
3,7-dichloro-10H-phenothiazine;hydrochloride
CID 135325177
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
(3E)-7-chloro-3-[(pyridin-4-ylmethylamino)methylidene]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 53317656
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619645
6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole
CID 138664195
6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine
CID 7040922
3-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)propanoic acid
CID 84641670

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).