2-(furan-3-ylsulfanyl)quinazoline

C12H8N2OS — CID 139231126

IUPAC2-(furan-3-ylsulfanyl)quinazoline
SMILESc1ccc2nc(Sc3ccoc3)ncc2c1
InChIInChI=1S/C12H8N2OS/c1-2-4-11-9(3-1)7-13-12(14-11)16-10-5-6-15-8-10/h1-8H
InChIKeyYJMUWZHKIGCPML-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.37
Rot. Bonds2

About 2-(furan-3-ylsulfanyl)quinazoline

2-(furan-3-ylsulfanyl)quinazoline (PubChem CID 139231126) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-(furan-3-ylsulfanyl)quinazoline.

Molecular Properties

Compound Name2-(furan-3-ylsulfanyl)quinazoline
PubChem CID139231126
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-(furan-3-ylsulfanyl)quinazoline
SMILESc1ccc2nc(Sc3ccoc3)ncc2c1
InChIInChI=1S/C12H8N2OS/c1-2-4-11-9(3-1)7-13-12(14-11)16-10-5-6-15-8-10/h1-8H
InChIKeyYJMUWZHKIGCPML-UHFFFAOYSA-N
XLogP3.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Furan-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2386629
1-(5-Methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 5295556
N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2396077
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 4803398
2-(2-Furyl)quinazoline
CID 901806
6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine
CID 141258623
2-(4-Methoxy-phenylsulfanyl)-quinazoline
CID 139231125
4-(Furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline
CID 21003260
4-(Furan-2-ylmethylsulfanyl)quinazoline
CID 248348
2-(Furan-3-yl)quinazoline
CID 57894376
2-(4-Phenylmethoxyphenyl)sulfanylquinazoline
CID 67700068
N-(furan-2-ylmethyl)quinazolin-2-amine
CID 68601841

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylsulfanyl)quinazoline?
The IUPAC name of 2-(furan-3-ylsulfanyl)quinazoline (CID 139231126) is 2-(furan-3-ylsulfanyl)quinazoline.
What is the SMILES notation for 2-(furan-3-ylsulfanyl)quinazoline?
The canonical SMILES for 2-(furan-3-ylsulfanyl)quinazoline is c1ccc2nc(Sc3ccoc3)ncc2c1.
What is the InChIKey of 2-(furan-3-ylsulfanyl)quinazoline?
The InChIKey is YJMUWZHKIGCPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-4-11-9(3-1)7-13-12(14-11)16-10-5-6-15-8-10/h1-8H.
What are the key properties of 2-(furan-3-ylsulfanyl)quinazoline?
2-(furan-3-ylsulfanyl)quinazoline has a molecular weight of 228.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylsulfanyl)quinazoline is sourced from PubChem (CID 139231126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).