2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone

C17H21N5OS — CID 16584732

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CSc2nnnn2C)c2cc(C)ccc21
InChIInChI=1S/C17H21N5OS/c1-11-6-7-13-12(2)9-17(3,4)22(14(13)8-11)15(23)10-24-16-18-19-20-21(16)5/h6-9H,10H2,1-5H3
InChIKeySADIRXCPYNSCOJ-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.84
Rot. Bonds3

About 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone

2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone (PubChem CID 16584732) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
PubChem CID16584732
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
SMILESCC1=CC(C)(C)N(C(=O)CSc2nnnn2C)c2cc(C)ccc21
InChIInChI=1S/C17H21N5OS/c1-11-6-7-13-12(2)9-17(3,4)22(14(13)8-11)15(23)10-24-16-18-19-20-21(16)5/h6-9H,10H2,1-5H3
InChIKeySADIRXCPYNSCOJ-UHFFFAOYSA-N
XLogP2.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 1147151
N'-(2,4-dimethylphenyl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propanediamide
CID 50972244
N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387877
1-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 864613
1-(4-acetylpiperazin-1-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2388605
1-(1-methylpyrrol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 31095489
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 7877747
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CID 2995946
2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,3,4,6-tetramethylphenyl)ethanone
CID 8021902
1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 3432568
1'-ethyl-1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone (CID 16584732) is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone is CC1=CC(C)(C)N(C(=O)CSc2nnnn2C)c2cc(C)ccc21.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
The InChIKey is SADIRXCPYNSCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-6-7-13-12(2)9-17(3,4)22(14(13)8-11)15(23)10-24-16-18-19-20-21(16)5/h6-9H,10H2,1-5H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone?
2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone has a molecular weight of 343.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone is sourced from PubChem (CID 16584732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).