4-N-thiophen-3-ylquinazoline-4,7-diamine

C12H10N4S — CID 66352541

IUPAC4-N-thiophen-3-ylquinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccsc3)ncnc2c1
InChIInChI=1S/C12H10N4S/c13-8-1-2-10-11(5-8)14-7-15-12(10)16-9-3-4-17-6-9/h1-7H,13H2,(H,14,15,16)
InChIKeyRUPZOVKAZDMSIZ-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.02
Rot. Bonds2

About 4-N-thiophen-3-ylquinazoline-4,7-diamine

4-N-thiophen-3-ylquinazoline-4,7-diamine (PubChem CID 66352541) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-N-thiophen-3-ylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-thiophen-3-ylquinazoline-4,7-diamine
PubChem CID66352541
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name4-N-thiophen-3-ylquinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccsc3)ncnc2c1
InChIInChI=1S/C12H10N4S/c13-8-1-2-10-11(5-8)14-7-15-12(10)16-9-3-4-17-6-9/h1-7H,13H2,(H,14,15,16)
InChIKeyRUPZOVKAZDMSIZ-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
CID 141449290
4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
CID 104775655
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
2-N-thiophen-3-ylpyridine-2,3-diamine
CID 66349916
4-N-[(4-bromothiophen-2-yl)methyl]quinazoline-4,7-diamine
CID 65336460
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(3-prop-2-ynoxyphenyl)quinazoline-4,7-diamine
CID 169450976
4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine
CID 65337115
4-N-piperidin-1-ylquinazoline-4,7-diamine
CID 83005963

Frequently Asked Questions

What is the IUPAC name of 4-N-thiophen-3-ylquinazoline-4,7-diamine?
The IUPAC name of 4-N-thiophen-3-ylquinazoline-4,7-diamine (CID 66352541) is 4-N-thiophen-3-ylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-thiophen-3-ylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-thiophen-3-ylquinazoline-4,7-diamine is Nc1ccc2c(Nc3ccsc3)ncnc2c1.
What is the InChIKey of 4-N-thiophen-3-ylquinazoline-4,7-diamine?
The InChIKey is RUPZOVKAZDMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-8-1-2-10-11(5-8)14-7-15-12(10)16-9-3-4-17-6-9/h1-7H,13H2,(H,14,15,16).
What are the key properties of 4-N-thiophen-3-ylquinazoline-4,7-diamine?
4-N-thiophen-3-ylquinazoline-4,7-diamine has a molecular weight of 242.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-thiophen-3-ylquinazoline-4,7-diamine is sourced from PubChem (CID 66352541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).