2-methylsulfanyl-4-thiophen-2-ylquinazoline

C13H10N2S2 — CID 14117950

IUPAC2-methylsulfanyl-4-thiophen-2-ylquinazoline
SMILESCSc1nc(-c2cccs2)c2ccccc2n1
InChIInChI=1S/C13H10N2S2/c1-16-13-14-10-6-3-2-5-9(10)12(15-13)11-7-4-8-17-11/h2-8H,1H3
InChIKeySCRIQQVAMKOLLN-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.08
Rot. Bonds2

About 2-methylsulfanyl-4-thiophen-2-ylquinazoline

2-methylsulfanyl-4-thiophen-2-ylquinazoline (PubChem CID 14117950) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methylsulfanyl-4-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name2-methylsulfanyl-4-thiophen-2-ylquinazoline
PubChem CID14117950
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name2-methylsulfanyl-4-thiophen-2-ylquinazoline
SMILESCSc1nc(-c2cccs2)c2ccccc2n1
InChIInChI=1S/C13H10N2S2/c1-16-13-14-10-6-3-2-5-9(10)12(15-13)11-7-4-8-17-11/h2-8H,1H3
InChIKeySCRIQQVAMKOLLN-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-thiophen-2-ylquinoline
CID 11746306
2-phenyl-4-thiophen-2-ylfuro[3,2-c]quinoline
CID 101407722
4-hydrazinyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 155927418
4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
2-methylsulfanyl-3-thiophen-2-ylpyrazine
CID 123525610
methane;6-pyridin-2-ylbenzo[k]phenanthridine;6-thiophen-2-ylbenzo[k]phenanthridine
CID 157426310
2-thiophen-2-ylquinazoline-4-carbonitrile
CID 166594802
2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline
CID 58801159
1-methyl-3-thiophen-2-ylindazole
CID 57338749
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
CID 14202028

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-thiophen-2-ylquinazoline?
The IUPAC name of 2-methylsulfanyl-4-thiophen-2-ylquinazoline (CID 14117950) is 2-methylsulfanyl-4-thiophen-2-ylquinazoline.
What is the SMILES notation for 2-methylsulfanyl-4-thiophen-2-ylquinazoline?
The canonical SMILES for 2-methylsulfanyl-4-thiophen-2-ylquinazoline is CSc1nc(-c2cccs2)c2ccccc2n1.
What is the InChIKey of 2-methylsulfanyl-4-thiophen-2-ylquinazoline?
The InChIKey is SCRIQQVAMKOLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-16-13-14-10-6-3-2-5-9(10)12(15-13)11-7-4-8-17-11/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-4-thiophen-2-ylquinazoline?
2-methylsulfanyl-4-thiophen-2-ylquinazoline has a molecular weight of 258.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-thiophen-2-ylquinazoline is sourced from PubChem (CID 14117950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).