4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide

C14H12N4OS — CID 66763305

IUPAC4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccs3)ncnc12
InChIInChI=1S/C14H12N4OS/c15-13(19)10-4-1-5-11-12(10)17-8-18-14(11)16-7-9-3-2-6-20-9/h1-6,8H,7H2,(H2,15,19)(H,16,17,18)
InChIKeyAKGKDYCRRBKPEO-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.40
Rot. Bonds4

About 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide

4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide (PubChem CID 66763305) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide
PubChem CID66763305
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccs3)ncnc12
InChIInChI=1S/C14H12N4OS/c15-13(19)10-4-1-5-11-12(10)17-8-18-14(11)16-7-9-3-2-6-20-9/h1-6,8H,7H2,(H2,15,19)(H,16,17,18)
InChIKeyAKGKDYCRRBKPEO-UHFFFAOYSA-N
XLogP2.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide?
The IUPAC name of 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide (CID 66763305) is 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide.
What is the SMILES notation for 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide?
The canonical SMILES for 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccs3)ncnc12.
What is the InChIKey of 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide?
The InChIKey is AKGKDYCRRBKPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-13(19)10-4-1-5-11-12(10)17-8-18-14(11)16-7-9-3-2-6-20-9/h1-6,8H,7H2,(H2,15,19)(H,16,17,18).
What are the key properties of 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide?
4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylamino)quinazoline-8-carboxamide is sourced from PubChem (CID 66763305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).