4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine

C13H13ClFN3S — CID 103552446

IUPAC4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(N)c(N2CCc3sccc3C2)c(F)c1Cl
InChIInChI=1S/C13H13ClFN3S/c14-11-8(16)5-9(17)13(12(11)15)18-3-1-10-7(6-18)2-4-19-10/h2,4-5H,1,3,6,16-17H2
InChIKeyNPCNNCALIKZFSU-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.27
Rot. Bonds1

About 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine

4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine (PubChem CID 103552446) has the molecular formula C13H13ClFN3S and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine
PubChem CID103552446
Molecular FormulaC13H13ClFN3S
Molecular Weight297.79 g/mol
Exact Mass297.05
IUPAC Name4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(N)c(N2CCc3sccc3C2)c(F)c1Cl
InChIInChI=1S/C13H13ClFN3S/c14-11-8(16)5-9(17)13(12(11)15)18-3-1-10-7(6-18)2-4-19-10/h2,4-5H,1,3,6,16-17H2
InChIKeyNPCNNCALIKZFSU-UHFFFAOYSA-N
XLogP3.27
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)aniline
CID 115468438
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
CID 16774509
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 113378829
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747098
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051748
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]methanol
CID 106529644
4-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-fluoroaniline
CID 61112259
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]methanamine
CID 62299813
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline
CID 83002365
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
CID 55237151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine?
The IUPAC name of 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine (CID 103552446) is 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine is Nc1cc(N)c(N2CCc3sccc3C2)c(F)c1Cl.
What is the InChIKey of 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine?
The InChIKey is NPCNNCALIKZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3S/c14-11-8(16)5-9(17)13(12(11)15)18-3-1-10-7(6-18)2-4-19-10/h2,4-5H,1,3,6,16-17H2.
What are the key properties of 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine?
4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine has a molecular weight of 297.79 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 103552446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).