6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C15H18N2OS — CID 79366504

IUPAC6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCCc1nccs1)CC2
InChIInChI=1S/C15H18N2OS/c1-18-12-4-2-11-3-5-14(13(11)10-12)16-7-6-15-17-8-9-19-15/h2,4,8-10,14,16H,3,5-7H2,1H3
InChIKeySHXANRVKRCFPCC-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.97
Rot. Bonds5

About 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 79366504) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID79366504
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCCc1nccs1)CC2
InChIInChI=1S/C15H18N2OS/c1-18-12-4-2-11-3-5-14(13(11)10-12)16-7-6-15-17-8-9-19-15/h2,4,8-10,14,16H,3,5-7H2,1H3
InChIKeySHXANRVKRCFPCC-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119
5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113260866
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-(2-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113262166
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
6-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79366862
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63239039

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 79366504) is 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCCc1nccs1)CC2.
What is the InChIKey of 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SHXANRVKRCFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-12-4-2-11-3-5-14(13(11)10-12)16-7-6-15-17-8-9-19-15/h2,4,8-10,14,16H,3,5-7H2,1H3.
What are the key properties of 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 274.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79366504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).