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

C17H26N2S — CID 103563952

IUPACN-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
SMILESCC(C)C1CC(NC2CC2)(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C17H26N2S/c1-11(2)12-9-17(10-12,19-13-7-8-13)16-18-14-5-3-4-6-15(14)20-16/h11-13,19H,3-10H2,1-2H3
InChIKeyLISAQOIYMNCSEQ-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.04
Rot. Bonds4

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

N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine (PubChem CID 103563952) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
PubChem CID103563952
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
SMILESCC(C)C1CC(NC2CC2)(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C17H26N2S/c1-11(2)12-9-17(10-12,19-13-7-8-13)16-18-14-5-3-4-6-15(14)20-16/h11-13,19H,3-10H2,1-2H3
InChIKeyLISAQOIYMNCSEQ-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Manozodil
CID 72110
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride (1:?)
CID 198580
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride
CID 3059958
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-diethyl-, hydrochloride
CID 3059962
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059966
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059968
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-methyl-2-(1-methylethyl)-, hydrochloride
CID 3059970
1-(2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
CID 3059974
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-, hydrochloride
CID 3059978
4-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-butyl-2-methyl-, hydrochloride
CID 3059980
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-N-(1-methylethyl)-, hydrochloride
CID 3059982
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-butyl-2-methyl-, hydrochloride
CID 3059984

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine (CID 103563952) is N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine is CC(C)C1CC(NC2CC2)(c2nc3c(s2)CCCC3)C1.
What is the InChIKey of N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
The InChIKey is LISAQOIYMNCSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-11(2)12-9-17(10-12,19-13-7-8-13)16-18-14-5-3-4-6-15(14)20-16/h11-13,19H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine?
N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine has a molecular weight of 290.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 103563952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).