1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine

C12H14N2S — CID 105473191

IUPAC1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc3cnsc23)CC1
InChIInChI=1S/C12H14N2S/c13-12(6-7-12)5-4-9-2-1-3-10-8-14-15-11(9)10/h1-3,8H,4-7,13H2
InChIKeyFOLBKOMSUUOVGK-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine

1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine (PubChem CID 105473191) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
PubChem CID105473191
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc3cnsc23)CC1
InChIInChI=1S/C12H14N2S/c13-12(6-7-12)5-4-9-2-1-3-10-8-14-15-11(9)10/h1-3,8H,4-7,13H2
InChIKeyFOLBKOMSUUOVGK-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine
CID 117292875
O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine
CID 117284726
1-(2-naphthalen-1-ylethyl)cyclopropan-1-amine
CID 23106129
2-(1,2-benzothiazol-7-yl)ethanesulfinic acid
CID 91179527
4-(1,2-benzothiazol-7-yl)butanoic acid
CID 117315894
7-(piperidin-4-ylmethyl)-1,2-benzothiazole
CID 84795660
1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine
CID 105475037
1-[2-(2-methyl-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105468832
7-(isocyanatomethyl)-1,2-benzothiazole
CID 117281804
[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine
CID 117368834
1-[2-(4-chloro-1,2-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 105454934
benzo[g][1,2]benzothiazole
CID 12614610

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine (CID 105473191) is 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine is NC1(CCc2cccc3cnsc23)CC1.
What is the InChIKey of 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine?
The InChIKey is FOLBKOMSUUOVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-12(6-7-12)5-4-9-2-1-3-10-8-14-15-11(9)10/h1-3,8H,4-7,13H2.
What are the key properties of 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine?
1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine has a molecular weight of 218.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105473191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).