4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline

C16H12N6S — CID 2566978

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline
SMILESCn1nnnc1Sc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12N6S/c1-22-16(19-20-21-22)23-15-12-9-5-6-10-13(12)17-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyYHKDIBFNRGORNO-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.97
Rot. Bonds3

About 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline

4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline (PubChem CID 2566978) has the molecular formula C16H12N6S and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline
PubChem CID2566978
Molecular FormulaC16H12N6S
Molecular Weight320.38 g/mol
Exact Mass320.08
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline
SMILESCn1nnnc1Sc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12N6S/c1-22-16(19-20-21-22)23-15-12-9-5-6-10-13(12)17-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyYHKDIBFNRGORNO-UHFFFAOYSA-N
XLogP2.97
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Phenyl-4-(1,2,4-Triazol-4-Yl)quinazoline
CID 17436861
(4-Methylthio-phenyl)-(2-methyl-quinazolin-4-yl)-methylamine
CID 11580217
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
4-((3-Methylbenzyl)thio)quinazoline
CID 7117226
4-Benzylthioquinazoline
CID 248346
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylthio)quinazolin-4-amine
CID 10268530
2-Methyl-5-(quinolin-2-ylmethylthio)-[1,2,4]triazolo[1,5-c]quinazoline
CID 54586389
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652846
2-Phenyl-5-(prop-2-en-1-ylsulfanyl)[1,2,4]triazolo[1,5-c]quinazoline
CID 1873052
2-(4-Chlorobenzyl)-4-(methylsulfanyl)quinazoline
CID 2766829
3,7-Dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
CID 4176954

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline (CID 2566978) is 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline is Cn1nnnc1Sc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline?
The InChIKey is YHKDIBFNRGORNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S/c1-22-16(19-20-21-22)23-15-12-9-5-6-10-13(12)17-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline?
4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline has a molecular weight of 320.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline is sourced from PubChem (CID 2566978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).