1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine

C23H31N3O2S — CID 91201716

IUPAC1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine
SMILESCOc1cc(OC)c(C(C)C)cc1C(=S)Cc1ccc2c(c1)c(C)cn2C.NN
InChIInChI=1S/C23H27NO2S.H4N2/c1-14(2)17-11-19(22(26-6)12-21(17)25-5)23(27)10-16-7-8-20-18(9-16)15(3)13-24(20)4;1-2/h7-9,11-14H,10H2,1-6H3;1-2H2
InChIKeyVSSOVFKQCYUZJC-UHFFFAOYSA-N
MW413.59 g/mol
LogP4.41
Rot. Bonds6

About 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine

1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine (PubChem CID 91201716) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine
PubChem CID91201716
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine
SMILESCOc1cc(OC)c(C(C)C)cc1C(=S)Cc1ccc2c(c1)c(C)cn2C.NN
InChIInChI=1S/C23H27NO2S.H4N2/c1-14(2)17-11-19(22(26-6)12-21(17)25-5)23(27)10-16-7-8-20-18(9-16)15(3)13-24(20)4;1-2/h7-9,11-14H,10H2,1-6H3;1-2H2
InChIKeyVSSOVFKQCYUZJC-UHFFFAOYSA-N
XLogP4.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole
CID 163892764
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
1-(3-methoxy-4-propan-2-ylphenyl)butan-2-one
CID 10513136
N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide
CID 134212806
2-(1,3-dimethyl-6-propan-2-ylindol-5-yl)oxyacetonitrile
CID 157432602
1-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)but-1-enyl]-1-(1,3-dimethylindol-5-yl)-3-methylthiourea
CID 123649742
[3-[(2-methoxyphenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117174896
4-(isocyanatomethyl)-1-methoxy-2-propan-2-ylbenzene
CID 82283009
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 95470469
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole
CID 161025341

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine?
The IUPAC name of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine (CID 91201716) is 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine.
What is the SMILES notation for 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine?
The canonical SMILES for 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine is COc1cc(OC)c(C(C)C)cc1C(=S)Cc1ccc2c(c1)c(C)cn2C.NN.
What is the InChIKey of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine?
The InChIKey is VSSOVFKQCYUZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2S.H4N2/c1-14(2)17-11-19(22(26-6)12-21(17)25-5)23(27)10-16-7-8-20-18(9-16)15(3)13-24(20)4;1-2/h7-9,11-14H,10H2,1-6H3;1-2H2.
What are the key properties of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine?
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine has a molecular weight of 413.59 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine is sourced from PubChem (CID 91201716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).