8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one

C16H14N6OS2 — CID 135799504

IUPAC8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CSc3nnnn3Cc3cccs3)nc12
InChIInChI=1S/C16H14N6OS2/c1-10-4-2-6-12-14(10)17-13(18-15(12)23)9-25-16-19-20-21-22(16)8-11-5-3-7-24-11/h2-7H,8-9H2,1H3,(H,17,18,23)
InChIKeyKFIFRVFBGAAZIO-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.62
Rot. Bonds5

About 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one

8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one (PubChem CID 135799504) has the molecular formula C16H14N6OS2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one
PubChem CID135799504
Molecular FormulaC16H14N6OS2
Molecular Weight370.46 g/mol
Exact Mass370.07
IUPAC Name8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CSc3nnnn3Cc3cccs3)nc12
InChIInChI=1S/C16H14N6OS2/c1-10-4-2-6-12-14(10)17-13(18-15(12)23)9-25-16-19-20-21-22(16)8-11-5-3-7-24-11/h2-7H,8-9H2,1H3,(H,17,18,23)
InChIKeyKFIFRVFBGAAZIO-UHFFFAOYSA-N
XLogP2.62
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

5-[(2-methylphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 47120849
6-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24522408
6-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17402376
tert-butyl 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47120873
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135700024
2-N-(2-methylphenyl)-6-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17392170
3-(3-hydroxypropyl)-2-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one
CID 135992436
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 137292552
1-(2,3,4,5-tetramethylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 36987883
1-(2,5-dimethylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 36987470
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135566578

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one (CID 135799504) is 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(CSc3nnnn3Cc3cccs3)nc12.
What is the InChIKey of 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The InChIKey is KFIFRVFBGAAZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS2/c1-10-4-2-6-12-14(10)17-13(18-15(12)23)9-25-16-19-20-21-22(16)8-11-5-3-7-24-11/h2-7H,8-9H2,1H3,(H,17,18,23).
What are the key properties of 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one?
8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one has a molecular weight of 370.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135799504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).