5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine

C16H20N2OS — CID 79774302

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H20N2OS/c1-2-8-17-16-18-10-15(20-16)11-19-14-7-6-12-4-3-5-13(12)9-14/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,18)
InChIKeyKBDHBFLHIHZKDX-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.03
Rot. Bonds6

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774302) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID79774302
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H20N2OS/c1-2-8-17-16-18-10-15(20-16)11-19-14-7-6-12-4-3-5-13(12)9-14/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,18)
InChIKeyKBDHBFLHIHZKDX-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
CID 79774116
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propylpyrazin-2-amine
CID 103058609
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine (CID 79774302) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2ccc3c(c2)CCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is KBDHBFLHIHZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-8-17-16-18-10-15(20-16)11-19-14-7-6-12-4-3-5-13(12)9-14/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,18).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).