2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine

C15H7Cl2N3S — CID 134399047

IUPAC2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2sc3ccc(-c4ccccn4)cc3c2n1
InChIInChI=1S/C15H7Cl2N3S/c16-14-13-12(19-15(17)20-14)9-7-8(4-5-11(9)21-13)10-3-1-2-6-18-10/h1-7H
InChIKeyOIADXQSXIVTODN-UHFFFAOYSA-N
MW332.22 g/mol
LogP5.21
Rot. Bonds1

About 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine

2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 134399047) has the molecular formula C15H7Cl2N3S and a molecular weight of 332.22 g/mol. Its IUPAC name is 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID134399047
Molecular FormulaC15H7Cl2N3S
Molecular Weight332.22 g/mol
Exact Mass330.97
IUPAC Name2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2sc3ccc(-c4ccccn4)cc3c2n1
InChIInChI=1S/C15H7Cl2N3S/c16-14-13-12(19-15(17)20-14)9-7-8(4-5-11(9)21-13)10-3-1-2-6-18-10/h1-7H
InChIKeyOIADXQSXIVTODN-UHFFFAOYSA-N
XLogP5.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.22
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine
CID 170982379
4,6-dichloro-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 87207660
2-chloro-4-dibenzothiophen-4-yl-8-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 170529260
4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130262859
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
2-(3-dibenzothiophen-2-yl-5-pyridin-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210535
4-chloro-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170212449
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210532
2,4,9-trichloro-[1]benzothiolo[3,2-d]pyrimidine
CID 146606356
3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140814604
2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 130222145

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 134399047) is 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine is Clc1nc(Cl)c2sc3ccc(-c4ccccn4)cc3c2n1.
What is the InChIKey of 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is OIADXQSXIVTODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2N3S/c16-14-13-12(19-15(17)20-14)9-7-8(4-5-11(9)21-13)10-3-1-2-6-18-10/h1-7H.
What are the key properties of 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 332.22 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 134399047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).