2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine

C14H16ClN3S — CID 82098301

IUPAC2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine
SMILESNCCN1CCc2nc(-c3ccc(Cl)cc3)sc2C1
InChIInChI=1S/C14H16ClN3S/c15-11-3-1-10(2-4-11)14-17-12-5-7-18(8-6-16)9-13(12)19-14/h1-4H,5-9,16H2
InChIKeyBAXYDLXTOBPEBI-UHFFFAOYSA-N
MW293.82 g/mol
LogP2.78
Rot. Bonds3

About 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine

2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine (PubChem CID 82098301) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine
PubChem CID82098301
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine
SMILESNCCN1CCc2nc(-c3ccc(Cl)cc3)sc2C1
InChIInChI=1S/C14H16ClN3S/c15-11-3-1-10(2-4-11)14-17-12-5-7-18(8-6-16)9-13(12)19-14/h1-4H,5-9,16H2
InChIKeyBAXYDLXTOBPEBI-UHFFFAOYSA-N
XLogP2.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine?
The IUPAC name of 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine (CID 82098301) is 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine is NCCN1CCc2nc(-c3ccc(Cl)cc3)sc2C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine?
The InChIKey is BAXYDLXTOBPEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-11-3-1-10(2-4-11)14-17-12-5-7-18(8-6-16)9-13(12)19-14/h1-4H,5-9,16H2.
What are the key properties of 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine?
2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine has a molecular weight of 293.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanamine is sourced from PubChem (CID 82098301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).