1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine

C16H21N3S — CID 104755506

IUPAC1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
SMILESNC(CSc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H21N3S/c17-14(12-6-2-1-3-7-12)10-20-16-13-8-4-5-9-15(13)18-11-19-16/h4-5,8-9,11-12,14H,1-3,6-7,10,17H2
InChIKeyRVYPIOWIYDSCIX-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.63
Rot. Bonds4

About 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine

1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine (PubChem CID 104755506) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
PubChem CID104755506
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
SMILESNC(CSc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H21N3S/c17-14(12-6-2-1-3-7-12)10-20-16-13-8-4-5-9-15(13)18-11-19-16/h4-5,8-9,11-12,14H,1-3,6-7,10,17H2
InChIKeyRVYPIOWIYDSCIX-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine 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

N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
CID 104755502
4-cyclopentylsulfanylquinazoline
CID 7160394
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
CID 107524879
1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 104755514
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
4-(3-bromo-2-phenylpropyl)sulfanylquinazoline
CID 65015814
N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
CID 64632868
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335
3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
CID 114370350
2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
CID 63919256

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine (CID 104755506) is 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine is NC(CSc1ncnc2ccccc12)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine?
The InChIKey is RVYPIOWIYDSCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-14(12-6-2-1-3-7-12)10-20-16-13-8-4-5-9-15(13)18-11-19-16/h4-5,8-9,11-12,14H,1-3,6-7,10,17H2.
What are the key properties of 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine?
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine is sourced from PubChem (CID 104755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).