[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine

C18H18N2S — CID 104632338

IUPAC[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2nc3ccccc3s2)CCc2ccccc21
InChIInChI=1S/C18H18N2S/c19-12-18(10-9-13-5-1-2-6-14(13)18)11-17-20-15-7-3-4-8-16(15)21-17/h1-8H,9-12,19H2
InChIKeyRZMMHQJTTUALAG-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.68
Rot. Bonds3

About [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine

[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine (PubChem CID 104632338) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
PubChem CID104632338
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2nc3ccccc3s2)CCc2ccccc21
InChIInChI=1S/C18H18N2S/c19-12-18(10-9-13-5-1-2-6-14(13)18)11-17-20-15-7-3-4-8-16(15)21-17/h1-8H,9-12,19H2
InChIKeyRZMMHQJTTUALAG-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carbonitrile
CID 104632299
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carbonitrile
CID 113435213
[1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropyl]methanamine
CID 117450469
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
4-(1,3-benzothiazol-2-ylmethyl)oxane-4-carbonitrile
CID 104632304
[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 65409445
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564355

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine (CID 104632338) is [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine is NCC1(Cc2nc3ccccc3s2)CCc2ccccc21.
What is the InChIKey of [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is RZMMHQJTTUALAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c19-12-18(10-9-13-5-1-2-6-14(13)18)11-17-20-15-7-3-4-8-16(15)21-17/h1-8H,9-12,19H2.
What are the key properties of [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine is sourced from PubChem (CID 104632338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).