3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine

C11H12N2S — CID 116999894

IUPAC3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nc3ccccc3s2)C1
InChIInChI=1S/C11H12N2S/c12-8-5-7(6-8)11-13-9-3-1-2-4-10(9)14-11/h1-4,7-8H,5-6,12H2
InChIKeyXWDUACKGHBUCAX-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.50
Rot. Bonds1

About 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine

3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine (PubChem CID 116999894) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
PubChem CID116999894
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nc3ccccc3s2)C1
InChIInChI=1S/C11H12N2S/c12-8-5-7(6-8)11-13-9-3-1-2-4-10(9)14-11/h1-4,7-8H,5-6,12H2
InChIKeyXWDUACKGHBUCAX-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899
3-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551576
3-(1,3-benzothiazol-2-yl)cyclopentan-1-one
CID 164678956
(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 119830387
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
N-[(3-aminocyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 66005217
CID 174477252
CID 174477252
methyl 4-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate
CID 102537570
carbanide;cyclopentane;bis(2-cyclopentyl-1,3-benzothiazole);iron;iron(2+);methanone;rhenium
CID 162273563
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
6-(1,3-benzothiazol-2-yl)morpholin-2-amine
CID 175499040
2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine (CID 116999894) is 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine is NC1CC(c2nc3ccccc3s2)C1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The InChIKey is XWDUACKGHBUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-8-5-7(6-8)11-13-9-3-1-2-4-10(9)14-11/h1-4,7-8H,5-6,12H2.
What are the key properties of 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine?
3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine has a molecular weight of 204.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116999894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).