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

C12H14N2S — CID 104631899

IUPAC[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C12H14N2S/c13-8-12(5-6-12)7-11-14-9-3-1-2-4-10(9)15-11/h1-4H,5-8,13H2
InChIKeyQIIXCMUNTRJFEN-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.58
Rot. Bonds3

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

[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine (PubChem CID 104631899) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
PubChem CID104631899
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C12H14N2S/c13-8-12(5-6-12)7-11-14-9-3-1-2-4-10(9)15-11/h1-4H,5-8,13H2
InChIKeyQIIXCMUNTRJFEN-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 104632338
1-(1,3-benzothiazol-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 114099950
1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carbonitrile
CID 104632299
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
1-(1,3-benzothiazol-2-yl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]methanamine
CID 114757501
N-[[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 104631845
1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carbonitrile
CID 113435213
N-[[4-(1,3-benzothiazol-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 104631888
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanone
CID 120807635
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 136561002

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine (CID 104631899) is [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine is NCC1(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine?
The InChIKey is QIIXCMUNTRJFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-8-12(5-6-12)7-11-14-9-3-1-2-4-10(9)15-11/h1-4H,5-8,13H2.
What are the key properties of [1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine?
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.58, 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)cyclopropyl]methanamine is sourced from PubChem (CID 104631899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).