3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline

C14H15IN2S — CID 112750992

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline
SMILESNc1cc(I)cc(CN2CCc3sccc3C2)c1
InChIInChI=1S/C14H15IN2S/c15-12-5-10(6-13(16)7-12)8-17-3-1-14-11(9-17)2-4-18-14/h2,4-7H,1,3,8-9,16H2
InChIKeyWORNQZKVAURDTJ-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.49
Rot. Bonds2

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline (PubChem CID 112750992) has the molecular formula C14H15IN2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline
PubChem CID112750992
Molecular FormulaC14H15IN2S
Molecular Weight370.26 g/mol
Exact Mass370.00
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline
SMILESNc1cc(I)cc(CN2CCc3sccc3C2)c1
InChIInChI=1S/C14H15IN2S/c15-12-5-10(6-13(16)7-12)8-17-3-1-14-11(9-17)2-4-18-14/h2,4-7H,1,3,8-9,16H2
InChIKeyWORNQZKVAURDTJ-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoroaniline
CID 64767664
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine
CID 102768916
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
CID 43375509
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-fluoroaniline
CID 112645902
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorophenyl]methanamine
CID 63288847

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline (CID 112750992) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline is Nc1cc(I)cc(CN2CCc3sccc3C2)c1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline?
The InChIKey is WORNQZKVAURDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2S/c15-12-5-10(6-13(16)7-12)8-17-3-1-14-11(9-17)2-4-18-14/h2,4-7H,1,3,8-9,16H2.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline has a molecular weight of 370.26 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline is sourced from PubChem (CID 112750992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).