2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone

C14H8Cl2N2OS — CID 58047690

IUPAC2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccnc1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-3-4-11-14(13(9)16)18-12(20-11)6-10(19)8-2-1-5-17-7-8/h1-5,7H,6H2
InChIKeyIZMPRTVAGZDPTQ-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.42
Rot. Bonds3

About 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone

2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone (PubChem CID 58047690) has the molecular formula C14H8Cl2N2OS and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone
PubChem CID58047690
Molecular FormulaC14H8Cl2N2OS
Molecular Weight323.20 g/mol
Exact Mass321.97
IUPAC Name2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccnc1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-3-4-11-14(13(9)16)18-12(20-11)6-10(19)8-2-1-5-17-7-8/h1-5,7H,6H2
InChIKeyIZMPRTVAGZDPTQ-UHFFFAOYSA-N
XLogP4.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
2-(4-chloro-1,3-benzothiazol-2-yl)acetic acid
CID 71743774
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
1-[6-(3-oxo-3-pyridin-3-ylpropanoyl)-2-pyridinyl]-3-pyridin-3-ylpropane-1,3-dione
CID 123224159
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
2-oxo-2-pyridin-3-ylethanesulfonyl chloride
CID 98464535
1-pyridin-3-ylpentan-1-one
CID 12648543
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone
CID 158107588
4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-2-methylsulfanylanilino]-4-oxobutanoic acid
CID 19439402
7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone (CID 58047690) is 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone is O=C(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccnc1.
What is the InChIKey of 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone?
The InChIKey is IZMPRTVAGZDPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS/c15-9-3-4-11-14(13(9)16)18-12(20-11)6-10(19)8-2-1-5-17-7-8/h1-5,7H,6H2.
What are the key properties of 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone?
2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone has a molecular weight of 323.20 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 58047690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).