4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline

C20H15N5S3 — CID 24566838

IUPAC4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline
SMILESCn1c(Cc2cccs2)nnc1Sc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H15N5S3/c1-25-17(12-13-6-4-10-26-13)23-24-20(25)28-19-14-7-2-3-8-15(14)21-18(22-19)16-9-5-11-27-16/h2-11H,12H2,1H3
InChIKeyKIFGUYAVCVQALH-UHFFFAOYSA-N
MW421.58 g/mol
LogP5.29
Rot. Bonds5

About 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline

4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline (PubChem CID 24566838) has the molecular formula C20H15N5S3 and a molecular weight of 421.58 g/mol. Its IUPAC name is 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline
PubChem CID24566838
Molecular FormulaC20H15N5S3
Molecular Weight421.58 g/mol
Exact Mass421.05
IUPAC Name4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline
SMILESCn1c(Cc2cccs2)nnc1Sc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H15N5S3/c1-25-17(12-13-6-4-10-26-13)23-24-20(25)28-19-14-7-2-3-8-15(14)21-18(22-19)16-9-5-11-27-16/h2-11H,12H2,1H3
InChIKeyKIFGUYAVCVQALH-UHFFFAOYSA-N
XLogP5.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.58
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline with MolForge

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Related Compounds

(2S)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7742536
4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline
CID 166179640
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 16511417
3-(2-methoxyethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2466454
3-hexylsulfanyl-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 151395888
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 41099497
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
4-methyl-2-[(1S)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-pyrimidin-6-one
CID 136833006
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
1-(4-ethylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7742456
N-carbamoyl-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16511422

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline (CID 24566838) is 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline is Cn1c(Cc2cccs2)nnc1Sc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline?
The InChIKey is KIFGUYAVCVQALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S3/c1-25-17(12-13-6-4-10-26-13)23-24-20(25)28-19-14-7-2-3-8-15(14)21-18(22-19)16-9-5-11-27-16/h2-11H,12H2,1H3.
What are the key properties of 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline?
4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline has a molecular weight of 421.58 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 24566838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).