1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone

C16H15N5OS — CID 9128029

IUPAC1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C16H15N5OS/c1-11-8-12-4-2-3-5-14(12)21(11)15(22)9-20-18-16(17-19-20)13-6-7-23-10-13/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeyYEVRWTDFPRJTEZ-LLVKDONJSA-N
MW325.40 g/mol
LogP2.38
Rot. Bonds3

About 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone (PubChem CID 9128029) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
PubChem CID9128029
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C16H15N5OS/c1-11-8-12-4-2-3-5-14(12)21(11)15(22)9-20-18-16(17-19-20)13-6-7-23-10-13/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeyYEVRWTDFPRJTEZ-LLVKDONJSA-N
XLogP2.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone with MolForge

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Related Compounds

2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3198370
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 41113449
2-[5-(2-bromophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8794568
1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 9128283
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 51188925
2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42922246
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone (CID 9128029) is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone is C[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
The InChIKey is YEVRWTDFPRJTEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-11-8-12-4-2-3-5-14(12)21(11)15(22)9-20-18-16(17-19-20)13-6-7-23-10-13/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone has a molecular weight of 325.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 9128029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).