4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline

C18H19N3S2 — CID 166179640

IUPAC4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline
SMILESc1csc(-c2nc(SCCN3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C18H19N3S2/c1-2-7-15-14(6-1)18(23-13-11-21-9-3-4-10-21)20-17(19-15)16-8-5-12-22-16/h1-2,5-8,12H,3-4,9-11,13H2
InChIKeyHVTWNMIUMHWZCZ-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.55
Rot. Bonds5

About 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline

4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline (PubChem CID 166179640) has the molecular formula C18H19N3S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline
PubChem CID166179640
Molecular FormulaC18H19N3S2
Molecular Weight341.50 g/mol
Exact Mass341.10
IUPAC Name4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline
SMILESc1csc(-c2nc(SCCN3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C18H19N3S2/c1-2-7-15-14(6-1)18(23-13-11-21-9-3-4-10-21)20-17(19-15)16-8-5-12-22-16/h1-2,5-8,12H,3-4,9-11,13H2
InChIKeyHVTWNMIUMHWZCZ-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7606641
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 4786666
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606818
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 16507524
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 133281392
7-bromo-2-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 16507504
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline
CID 24566838
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline (CID 166179640) is 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline is c1csc(-c2nc(SCCN3CCCC3)c3ccccc3n2)c1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline?
The InChIKey is HVTWNMIUMHWZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S2/c1-2-7-15-14(6-1)18(23-13-11-21-9-3-4-10-21)20-17(19-15)16-8-5-12-22-16/h1-2,5-8,12H,3-4,9-11,13H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline?
4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline has a molecular weight of 341.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 166179640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).