2-ethyl-4-methylsulfanylquinazoline

C11H12N2S — CID 11615390

IUPAC2-ethyl-4-methylsulfanylquinazoline
SMILESCCc1nc(SC)c2ccccc2n1
InChIInChI=1S/C11H12N2S/c1-3-10-12-9-7-5-4-6-8(9)11(13-10)14-2/h4-7H,3H2,1-2H3
InChIKeyNMDPYKKHHWRMOF-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.91
Rot. Bonds2

About 2-ethyl-4-methylsulfanylquinazoline

2-ethyl-4-methylsulfanylquinazoline (PubChem CID 11615390) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-ethyl-4-methylsulfanylquinazoline.

Molecular Properties

Compound Name2-ethyl-4-methylsulfanylquinazoline
PubChem CID11615390
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-ethyl-4-methylsulfanylquinazoline
SMILESCCc1nc(SC)c2ccccc2n1
InChIInChI=1S/C11H12N2S/c1-3-10-12-9-7-5-4-6-8(9)11(13-10)14-2/h4-7H,3H2,1-2H3
InChIKeyNMDPYKKHHWRMOF-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol
CID 139086944
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1435013
N-(4-chlorobutyl)-N-methyl-4-methylsulfanylquinazolin-2-amine
CID 12820920
4,5-dichloro-2-ethylquinazoline
CID 114590314
ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
CID 3192182
methyl 3-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
CID 1435010
22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 129303440
4-ethylquinazolin-2-amine
CID 10352174
2-(2-ethylquinazolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3749912
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethylquinazolin-4-yl)sulfanylacetamide
CID 1435027
9-(1-acridin-9-ylethyl)acridine
CID 118649577

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylsulfanylquinazoline?
The IUPAC name of 2-ethyl-4-methylsulfanylquinazoline (CID 11615390) is 2-ethyl-4-methylsulfanylquinazoline.
What is the SMILES notation for 2-ethyl-4-methylsulfanylquinazoline?
The canonical SMILES for 2-ethyl-4-methylsulfanylquinazoline is CCc1nc(SC)c2ccccc2n1.
What is the InChIKey of 2-ethyl-4-methylsulfanylquinazoline?
The InChIKey is NMDPYKKHHWRMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-3-10-12-9-7-5-4-6-8(9)11(13-10)14-2/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methylsulfanylquinazoline?
2-ethyl-4-methylsulfanylquinazoline has a molecular weight of 204.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylsulfanylquinazoline is sourced from PubChem (CID 11615390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).