5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

C16H15ClN2OS — CID 64829156

IUPAC5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCOc1ccc(Cl)cc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C16H15ClN2OS/c1-10(11-7-16-13(18-9-11)5-6-21-16)19-14-8-12(17)3-4-15(14)20-2/h3-10,19H,1-2H3
InChIKeyCGPCGSYVZCDPEI-UHFFFAOYSA-N
MW318.83 g/mol
LogP5.13
Rot. Bonds4

About 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64829156) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64829156
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCOc1ccc(Cl)cc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C16H15ClN2OS/c1-10(11-7-16-13(18-9-11)5-6-21-16)19-14-8-12(17)3-4-15(14)20-2/h3-10,19H,1-2H3
InChIKeyCGPCGSYVZCDPEI-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.83
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64829776
2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829352
2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467399
2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829176
3-chloro-4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzonitrile
CID 107807233
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830748
4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64828842
4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64831111
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64828369
5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64829156) is 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is COc1ccc(Cl)cc1NC(C)c1cnc2ccsc2c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is CGPCGSYVZCDPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10(11-7-16-13(18-9-11)5-6-21-16)19-14-8-12(17)3-4-15(14)20-2/h3-10,19H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 318.83 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64829156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).