2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C14H13Cl2N3OS — CID 27421659

IUPAC2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1
InChIInChI=1S/C14H13Cl2N3OS/c1-19-5-4-11-12(7-19)21-14(17-11)18-13(20)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5,7H2,1H3,(H,17,18,20)
InChIKeyDAHDVYVNRMCSQX-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.69
Rot. Bonds2

About 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 27421659) has the molecular formula C14H13Cl2N3OS and a molecular weight of 342.25 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID27421659
Molecular FormulaC14H13Cl2N3OS
Molecular Weight342.25 g/mol
Exact Mass341.02
IUPAC Name2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1
InChIInChI=1S/C14H13Cl2N3OS/c1-19-5-4-11-12(7-19)21-14(17-11)18-13(20)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5,7H2,1H3,(H,17,18,20)
InChIKeyDAHDVYVNRMCSQX-UHFFFAOYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 27421659) is 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CN1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1.
What is the InChIKey of 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is DAHDVYVNRMCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3OS/c1-19-5-4-11-12(7-19)21-14(17-11)18-13(20)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5,7H2,1H3,(H,17,18,20).
What are the key properties of 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 342.25 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 27421659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).