1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine

C11H12N2S — CID 117292875

IUPAC1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2cccc3cnsc23)CC1
InChIInChI=1S/C11H12N2S/c12-11(4-5-11)6-8-2-1-3-9-7-13-14-10(8)9/h1-3,7H,4-6,12H2
InChIKeyXVZCXMKFXTXWBP-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.33
Rot. Bonds2

About 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine

1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine (PubChem CID 117292875) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine
PubChem CID117292875
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2cccc3cnsc23)CC1
InChIInChI=1S/C11H12N2S/c12-11(4-5-11)6-8-2-1-3-9-7-13-14-10(8)9/h1-3,7H,4-6,12H2
InChIKeyXVZCXMKFXTXWBP-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
CID 105473191
O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine
CID 117284726
7-(piperidin-4-ylmethyl)-1,2-benzothiazole
CID 84795660
7-(isocyanatomethyl)-1,2-benzothiazole
CID 117281804
2-(1,2-benzothiazol-7-yl)ethanesulfinic acid
CID 91179527
4-(1,2-benzothiazol-7-yl)butanoic acid
CID 117315894
[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine
CID 117368834
benzo[g][1,2]benzothiazole
CID 12614610
(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine
CID 117281991
[3-(1,2-benzothiazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336159
1-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 114277682
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine (CID 117292875) is 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine is NC1(Cc2cccc3cnsc23)CC1.
What is the InChIKey of 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine?
The InChIKey is XVZCXMKFXTXWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-11(4-5-11)6-8-2-1-3-9-7-13-14-10(8)9/h1-3,7H,4-6,12H2.
What are the key properties of 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine?
1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine has a molecular weight of 204.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 117292875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).