(2-ethyl-4-oxoquinazolin-3-yl)thiourea

C11H12N4OS — CID 12516860

IUPAC(2-ethyl-4-oxoquinazolin-3-yl)thiourea
SMILESCCc1nc2ccccc2c(=O)n1NC(N)=S
InChIInChI=1S/C11H12N4OS/c1-2-9-13-8-6-4-3-5-7(8)10(16)15(9)14-11(12)17/h3-6H,2H2,1H3,(H3,12,14,17)
InChIKeyCXKBBTRVFYOOHV-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.75
Rot. Bonds2

About (2-ethyl-4-oxoquinazolin-3-yl)thiourea

(2-ethyl-4-oxoquinazolin-3-yl)thiourea (PubChem CID 12516860) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is (2-ethyl-4-oxoquinazolin-3-yl)thiourea.

Molecular Properties

Compound Name(2-ethyl-4-oxoquinazolin-3-yl)thiourea
PubChem CID12516860
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name(2-ethyl-4-oxoquinazolin-3-yl)thiourea
SMILESCCc1nc2ccccc2c(=O)n1NC(N)=S
InChIInChI=1S/C11H12N4OS/c1-2-9-13-8-6-4-3-5-7(8)10(16)15(9)14-11(12)17/h3-6H,2H2,1H3,(H3,12,14,17)
InChIKeyCXKBBTRVFYOOHV-UHFFFAOYSA-N
XLogP0.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
CID 12994903
2-ethyl-3-[(2-methylpropan-2-yl)oxyamino]quinazolin-4-one
CID 10659082
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
CID 23255841
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(dimethylamino)-2-ethylquinazolin-4-one
CID 10680290
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 68754311
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-oxoquinazolin-3-yl)thiourea?
The IUPAC name of (2-ethyl-4-oxoquinazolin-3-yl)thiourea (CID 12516860) is (2-ethyl-4-oxoquinazolin-3-yl)thiourea.
What is the SMILES notation for (2-ethyl-4-oxoquinazolin-3-yl)thiourea?
The canonical SMILES for (2-ethyl-4-oxoquinazolin-3-yl)thiourea is CCc1nc2ccccc2c(=O)n1NC(N)=S.
What is the InChIKey of (2-ethyl-4-oxoquinazolin-3-yl)thiourea?
The InChIKey is CXKBBTRVFYOOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-9-13-8-6-4-3-5-7(8)10(16)15(9)14-11(12)17/h3-6H,2H2,1H3,(H3,12,14,17).
What are the key properties of (2-ethyl-4-oxoquinazolin-3-yl)thiourea?
(2-ethyl-4-oxoquinazolin-3-yl)thiourea has a molecular weight of 248.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-oxoquinazolin-3-yl)thiourea is sourced from PubChem (CID 12516860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).