6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one

C14H15N5OS — CID 136819009

IUPAC6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
SMILESCc1nc(CCNc2cc3nc[nH]c(=O)c3cc2N)cs1
InChIInChI=1S/C14H15N5OS/c1-8-19-9(6-21-8)2-3-16-13-5-12-10(4-11(13)15)14(20)18-7-17-12/h4-7,16H,2-3,15H2,1H3,(H,17,18,20)
InChIKeyCLDTXYUOFLHTDQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.92
Rot. Bonds4

About 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one

6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one (PubChem CID 136819009) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
PubChem CID136819009
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
SMILESCc1nc(CCNc2cc3nc[nH]c(=O)c3cc2N)cs1
InChIInChI=1S/C14H15N5OS/c1-8-19-9(6-21-8)2-3-16-13-5-12-10(4-11(13)15)14(20)18-7-17-12/h4-7,16H,2-3,15H2,1H3,(H,17,18,20)
InChIKeyCLDTXYUOFLHTDQ-UHFFFAOYSA-N
XLogP1.92
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-7-[[(3S)-3-hydroxybutyl]amino]-3H-quinazolin-4-one
CID 136751771
6-amino-7-(2-ethylsulfinylethylamino)-3H-quinazolin-4-one
CID 136969146
5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908657
5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
CID 136880867
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
6-amino-7-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777
4-fluoro-5-methoxy-1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 106035876
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
CID 133468064
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490
4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106036023

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one (CID 136819009) is 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one is Cc1nc(CCNc2cc3nc[nH]c(=O)c3cc2N)cs1.
What is the InChIKey of 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one?
The InChIKey is CLDTXYUOFLHTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-19-9(6-21-8)2-3-16-13-5-12-10(4-11(13)15)14(20)18-7-17-12/h4-7,16H,2-3,15H2,1H3,(H,17,18,20).
What are the key properties of 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one?
6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one has a molecular weight of 301.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136819009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).