6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine

C16H20N2OS2 — CID 79369397

IUPAC6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1Sc1nccs1
InChIInChI=1S/C16H20N2OS2/c1-3-6-17-15-13-10-12(19-2)5-4-11(13)9-14(15)21-16-18-7-8-20-16/h4-5,7-8,10,14-15,17H,3,6,9H2,1-2H3
InChIKeyAMTNUNYBLZTPMK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.91
Rot. Bonds6

About 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79369397) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79369397
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1Sc1nccs1
InChIInChI=1S/C16H20N2OS2/c1-3-6-17-15-13-10-12(19-2)5-4-11(13)9-14(15)21-16-18-7-8-20-16/h4-5,7-8,10,14-15,17H,3,6,9H2,1-2H3
InChIKeyAMTNUNYBLZTPMK-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
6-methoxy-2-(2-methylbutan-2-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371150
2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371140
6-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370659
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758
6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79370654
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79370352
6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79369092
N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79366504
2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 64661833
4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627899

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine (CID 79369397) is 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine is CCCNC1c2cc(OC)ccc2CC1Sc1nccs1.
What is the InChIKey of 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AMTNUNYBLZTPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-3-6-17-15-13-10-12(19-2)5-4-11(13)9-14(15)21-16-18-7-8-20-16/h4-5,7-8,10,14-15,17H,3,6,9H2,1-2H3.
What are the key properties of 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 320.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79369397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).