2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine

C13H16N2S — CID 84696103

IUPAC2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2sc(C3CC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-8(7-14)10-4-5-12-11(6-10)15-13(16-12)9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3
InChIKeyOTBWGBLGLIFZHK-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine

2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine (PubChem CID 84696103) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
PubChem CID84696103
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2sc(C3CC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-8(7-14)10-4-5-12-11(6-10)15-13(16-12)9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3
InChIKeyOTBWGBLGLIFZHK-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine
CID 84710188
(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine
CID 117332982
2-cyclohexyl-5-propan-2-yl-1,3-benzothiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3-benzothiazole
CID 159641452
2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
CID 84693601
1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine
CID 84696106
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine
CID 167090747
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
CID 117396578
[4-(6-fluoro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine
CID 79525945
N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine
CID 82501389
5-(1-bromoethyl)-1,3-benzothiazol-2-amine
CID 21401463

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine (CID 84696103) is 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine is CC(CN)c1ccc2sc(C3CC3)nc2c1.
What is the InChIKey of 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine?
The InChIKey is OTBWGBLGLIFZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8(7-14)10-4-5-12-11(6-10)15-13(16-12)9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3.
What are the key properties of 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine?
2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine is sourced from PubChem (CID 84696103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).