3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine

C15H24N2OS — CID 106823149

IUPAC3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
SMILESCCCNC1(c2nc3c(s2)CCCC3)CC(OC)C1
InChIInChI=1S/C15H24N2OS/c1-3-8-16-15(9-11(10-15)18-2)14-17-12-6-4-5-7-13(12)19-14/h11,16H,3-10H2,1-2H3
InChIKeyZSYXBUVZQSIPDG-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.03
Rot. Bonds5

About 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine

3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine (PubChem CID 106823149) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
PubChem CID106823149
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
SMILESCCCNC1(c2nc3c(s2)CCCC3)CC(OC)C1
InChIInChI=1S/C15H24N2OS/c1-3-8-16-15(9-11(10-15)18-2)14-17-12-6-4-5-7-13(12)19-14/h11,16H,3-10H2,1-2H3
InChIKeyZSYXBUVZQSIPDG-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6,6,6-trifluoro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
CID 116535739
2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 68865964
Methyl[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]amine
CID 4655534
Ethyl[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]amine
CID 46784933
(Propan-2-yl)[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]amine
CID 46784934
2-{[(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)methyl]amino}ethan-1-ol
CID 46784936
(2-Methoxyethyl)[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]amine
CID 46784937
1-(oxolan-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine
CID 46784939
2-[1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)ethylamino]ethanol
CID 46784942
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 46784943
N-(oxolan-2-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 46784945
Oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 55066568

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine (CID 106823149) is 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine is CCCNC1(c2nc3c(s2)CCCC3)CC(OC)C1.
What is the InChIKey of 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The InChIKey is ZSYXBUVZQSIPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-8-16-15(9-11(10-15)18-2)14-17-12-6-4-5-7-13(12)19-14/h11,16H,3-10H2,1-2H3.
What are the key properties of 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 106823149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).