4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine

C20H17N4O2S2- — CID 141110430

IUPAC4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine
SMILESNc1ccc(-c2csc3c(-c4ccc(CNS(=O)[O-])cc4)cnc(N)c23)cc1
InChIInChI=1S/C20H18N4O2S2/c21-15-7-5-14(6-8-15)17-11-27-19-16(10-23-20(22)18(17)19)13-3-1-12(2-4-13)9-24-28(25)26/h1-8,10-11,24H,9,21H2,(H2,22,23)(H,25,26)/p-1
InChIKeyVGRMHTLXMTUBSI-UHFFFAOYSA-M
MW409.52 g/mol
LogP3.68
Rot. Bonds5

About 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine

4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine (PubChem CID 141110430) has the molecular formula C20H17N4O2S2- and a molecular weight of 409.52 g/mol. Its IUPAC name is 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine
PubChem CID141110430
Molecular FormulaC20H17N4O2S2-
Molecular Weight409.52 g/mol
Exact Mass409.08
IUPAC Name4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine
SMILESNc1ccc(-c2csc3c(-c4ccc(CNS(=O)[O-])cc4)cnc(N)c23)cc1
InChIInChI=1S/C20H18N4O2S2/c21-15-7-5-14(6-8-15)17-11-27-19-16(10-23-20(22)18(17)19)13-3-1-12(2-4-13)9-24-28(25)26/h1-8,10-11,24H,9,21H2,(H2,22,23)(H,25,26)/p-1
InChIKeyVGRMHTLXMTUBSI-UHFFFAOYSA-M
XLogP3.68
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine
CID 174693975
[4-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfinate
CID 174509712
3-(4-aminophenyl)-7-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 18450714
2-amino-4-[4-[(sulfinatoamino)methyl]phenyl]-1,3-thiazole
CID 174235291
7-(4-aminophenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 18450870
3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine
CID 174681399
1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea
CID 174509720
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
1-[4-[4-amino-7-(3-aminophenyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451144
1-[5-(aminomethyl)-2-fluorophenyl]-1-[4-[4-amino-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]urea
CID 174509662
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
CID 18451197
N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide
CID 18450942

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine?
The IUPAC name of 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine (CID 141110430) is 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine is Nc1ccc(-c2csc3c(-c4ccc(CNS(=O)[O-])cc4)cnc(N)c23)cc1.
What is the InChIKey of 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine?
The InChIKey is VGRMHTLXMTUBSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18N4O2S2/c21-15-7-5-14(6-8-15)17-11-27-19-16(10-23-20(22)18(17)19)13-3-1-12(2-4-13)9-24-28(25)26/h1-8,10-11,24H,9,21H2,(H2,22,23)(H,25,26)/p-1.
What are the key properties of 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine?
4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine has a molecular weight of 409.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine is sourced from PubChem (CID 141110430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).