3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine

C20H21N3S — CID 174681399

IUPAC3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine
SMILESCCC(C#Cc1cnc(N)c2c(-c3ccc(N)cc3)csc12)CC
InChIInChI=1S/C20H21N3S/c1-3-13(4-2)5-6-15-11-23-20(22)18-17(12-24-19(15)18)14-7-9-16(21)10-8-14/h7-13H,3-4,21H2,1-2H3,(H2,22,23)
InChIKeyQTLMODXJMJESFN-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.92
Rot. Bonds3

About 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine

3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 174681399) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine
PubChem CID174681399
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC Name3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine
SMILESCCC(C#Cc1cnc(N)c2c(-c3ccc(N)cc3)csc12)CC
InChIInChI=1S/C20H21N3S/c1-3-13(4-2)5-6-15-11-23-20(22)18-17(12-24-19(15)18)14-7-9-16(21)10-8-14/h7-13H,3-4,21H2,1-2H3,(H2,22,23)
InChIKeyQTLMODXJMJESFN-UHFFFAOYSA-N
XLogP4.92
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322452
1-[3-(aminomethyl)phenyl]-1-[4-(4-amino-7-pent-1-ynylthieno[3,2-c]pyridin-3-yl)phenyl]urea
CID 174495259
4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine
CID 141110430
1-[4-(4-amino-7-prop-1-ynylthieno[3,2-c]pyridin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 174495174
7-(4-aminophenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 18450870
3-(4-aminophenyl)-7-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 18450714
1-[4-[4-amino-7-(3-phenoxyprop-1-ynyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451214
tert-butyl N-[3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-ynyl]-N-ethylcarbamate
CID 18451440
tert-butyl N-[3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-ynyl]carbamate
CID 18451439
7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322409
7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 68678857
[3-[4-amino-3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-ynylamino]methyl hydrogen sulfite
CID 174495283

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine (CID 174681399) is 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine is CCC(C#Cc1cnc(N)c2c(-c3ccc(N)cc3)csc12)CC.
What is the InChIKey of 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is QTLMODXJMJESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-3-13(4-2)5-6-15-11-23-20(22)18-17(12-24-19(15)18)14-7-9-16(21)10-8-14/h7-13H,3-4,21H2,1-2H3,(H2,22,23).
What are the key properties of 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine?
3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 335.48 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-7-(3-ethylpent-1-ynyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 174681399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).