N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide

C16H20N6O2S — CID 3229015

IUPACN'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CSc1nnnn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N6O2S/c1-10(2)15(24)18-17-14(23)9-25-16-19-20-21-22(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyDNAGRTOOJZVPNF-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.05
Rot. Bonds5

About N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide

N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide (PubChem CID 3229015) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide
PubChem CID3229015
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CSc1nnnn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N6O2S/c1-10(2)15(24)18-17-14(23)9-25-16-19-20-21-22(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyDNAGRTOOJZVPNF-UHFFFAOYSA-N
XLogP1.05
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 3229008
2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 3229011
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8873161
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
N-butan-2-yl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46677048
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46643291
N-(2-acetylphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561491
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2615618
N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804407
(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 8977397
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8861370

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide (CID 3229015) is N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide is CC(C)C(=O)NNC(=O)CSc1nnnn1-c1ccc2c(c1)CCC2.
What is the InChIKey of N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide?
The InChIKey is DNAGRTOOJZVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-10(2)15(24)18-17-14(23)9-25-16-19-20-21-22(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide?
N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide has a molecular weight of 360.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide is sourced from PubChem (CID 3229015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).