4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline

C13H13ClN2S — CID 115468438

IUPAC4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESNc1ccc(Cl)cc1N1CCc2sccc2C1
InChIInChI=1S/C13H13ClN2S/c14-10-1-2-11(15)12(7-10)16-5-3-13-9(8-16)4-6-17-13/h1-2,4,6-7H,3,5,8,15H2
InChIKeyYELMTVKQTFWTGA-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.55
Rot. Bonds1

About 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline

4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (PubChem CID 115468438) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
PubChem CID115468438
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESNc1ccc(Cl)cc1N1CCc2sccc2C1
InChIInChI=1S/C13H13ClN2S/c14-10-1-2-11(15)12(7-10)16-5-3-13-9(8-16)4-6-17-13/h1-2,4,6-7H,3,5,8,15H2
InChIKeyYELMTVKQTFWTGA-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 63083216
1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine
CID 114860254
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
methyl 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 82790741
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine
CID 103552446
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
CID 16774509
4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 115468950
(2-amino-4-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16773852
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747098
2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79525560
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The IUPAC name of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (CID 115468438) is 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.
What is the SMILES notation for 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The canonical SMILES for 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is Nc1ccc(Cl)cc1N1CCc2sccc2C1.
What is the InChIKey of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The InChIKey is YELMTVKQTFWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-10-1-2-11(15)12(7-10)16-5-3-13-9(8-16)4-6-17-13/h1-2,4,6-7H,3,5,8,15H2.
What are the key properties of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline has a molecular weight of 264.78 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is sourced from PubChem (CID 115468438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).