N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine

C20H23N3OS2 — CID 133338088

IUPACN-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine
SMILESCCS(=O)C1CCCC(Nc2nc(-c3ccsc3)nc3ccccc23)C1
InChIInChI=1S/C20H23N3OS2/c1-2-26(24)16-7-5-6-15(12-16)21-20-17-8-3-4-9-18(17)22-19(23-20)14-10-11-25-13-14/h3-4,8-11,13,15-16H,2,5-7,12H2,1H3,(H,21,22,23)
InChIKeyDRWLFLCHOMKVDI-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.85
Rot. Bonds5

About N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine

N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 133338088) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine
PubChem CID133338088
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC NameN-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine
SMILESCCS(=O)C1CCCC(Nc2nc(-c3ccsc3)nc3ccccc23)C1
InChIInChI=1S/C20H23N3OS2/c1-2-26(24)16-7-5-6-15(12-16)21-20-17-8-3-4-9-18(17)22-19(23-20)14-10-11-25-13-14/h3-4,8-11,13,15-16H,2,5-7,12H2,1H3,(H,21,22,23)
InChIKeyDRWLFLCHOMKVDI-UHFFFAOYSA-N
XLogP4.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine
CID 40952403
N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133338091
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
CID 75428576
[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol
CID 166260662
N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 42950794
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
CID 133338071
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
CID 20626480
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine (CID 133338088) is N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine is CCS(=O)C1CCCC(Nc2nc(-c3ccsc3)nc3ccccc23)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is DRWLFLCHOMKVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-2-26(24)16-7-5-6-15(12-16)21-20-17-8-3-4-9-18(17)22-19(23-20)14-10-11-25-13-14/h3-4,8-11,13,15-16H,2,5-7,12H2,1H3,(H,21,22,23).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine?
N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 385.56 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 133338088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).