(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate

C14H18N4S2 — CID 27914144

IUPAC(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H18N4S2/c1-3-18(4-2)14(19)20-9-12-16-11-8-6-5-7-10(11)13(15)17-12/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17)
InChIKeyUUNDPMAGCKUMGX-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.07
Rot. Bonds4

About (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate

(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate (PubChem CID 27914144) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate
PubChem CID27914144
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1nc(N)c2ccccc2n1
InChIInChI=1S/C14H18N4S2/c1-3-18(4-2)14(19)20-9-12-16-11-8-6-5-7-10(11)13(15)17-12/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17)
InChIKeyUUNDPMAGCKUMGX-UHFFFAOYSA-N
XLogP3.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate 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

2-[(4-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 27913615
2-[(4-amino-2-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 43302936
2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine
CID 25416413
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]quinazolin-4-amine
CID 79128586
methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate
CID 62028118
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 35422865
N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine
CID 89468446
[4-(hydroxymethyl)phenyl]methyl N,N-diethylcarbamodithioate
CID 110005187
(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate
CID 71350969
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
2-phenylpropyl N,N-diethylcarbamodithioate
CID 150642296

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate (CID 27914144) is (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCc1nc(N)c2ccccc2n1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate?
The InChIKey is UUNDPMAGCKUMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-3-18(4-2)14(19)20-9-12-16-11-8-6-5-7-10(11)13(15)17-12/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17).
What are the key properties of (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate?
(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate has a molecular weight of 306.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 27914144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).