6-ethyl-4-phenyl-1H-quinazoline-2-thione

C16H14N2S — CID 134914811

IUPAC6-ethyl-4-phenyl-1H-quinazoline-2-thione
SMILESCCc1ccc2[nH]c(=S)nc(-c3ccccc3)c2c1
InChIInChI=1S/C16H14N2S/c1-2-11-8-9-14-13(10-11)15(18-16(19)17-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyLMHAAYAADKKLTO-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.52
Rot. Bonds2

About 6-ethyl-4-phenyl-1H-quinazoline-2-thione

6-ethyl-4-phenyl-1H-quinazoline-2-thione (PubChem CID 134914811) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 6-ethyl-4-phenyl-1H-quinazoline-2-thione.

Molecular Properties

Compound Name6-ethyl-4-phenyl-1H-quinazoline-2-thione
PubChem CID134914811
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name6-ethyl-4-phenyl-1H-quinazoline-2-thione
SMILESCCc1ccc2[nH]c(=S)nc(-c3ccccc3)c2c1
InChIInChI=1S/C16H14N2S/c1-2-11-8-9-14-13(10-11)15(18-16(19)17-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyLMHAAYAADKKLTO-UHFFFAOYSA-N
XLogP4.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-ethyl-7H-benzo[c]carbazole
CID 131998873
6-ethyl-5-phenyl-2H-1,2,4-triazine-3-thione
CID 24847137
6-ethyl-2,4-diphenylquinoline
CID 132522547
5,6-diphenyl-2H-1,2,4-triazine-3-thione;ethanamine
CID 3043863
N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
CID 143543257
6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
CID 94962038
3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
6-ethyl-3-methyl-1H-quinoline-2-thione
CID 18524198
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
1-(4-ethylphenyl)isoquinoline
CID 58184660
(6-ethyl-2-phenylquinolin-4-yl)hydrazine
CID 63484419

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-phenyl-1H-quinazoline-2-thione?
The IUPAC name of 6-ethyl-4-phenyl-1H-quinazoline-2-thione (CID 134914811) is 6-ethyl-4-phenyl-1H-quinazoline-2-thione.
What is the SMILES notation for 6-ethyl-4-phenyl-1H-quinazoline-2-thione?
The canonical SMILES for 6-ethyl-4-phenyl-1H-quinazoline-2-thione is CCc1ccc2[nH]c(=S)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-ethyl-4-phenyl-1H-quinazoline-2-thione?
The InChIKey is LMHAAYAADKKLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-2-11-8-9-14-13(10-11)15(18-16(19)17-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of 6-ethyl-4-phenyl-1H-quinazoline-2-thione?
6-ethyl-4-phenyl-1H-quinazoline-2-thione has a molecular weight of 266.37 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-phenyl-1H-quinazoline-2-thione is sourced from PubChem (CID 134914811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).