3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide

C15H19N3O2S — CID 166276014

IUPAC3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)Nc2nc3c(C)cccc3s2)C1
InChIInChI=1S/C15H19N3O2S/c1-9-4-3-5-11-12(9)17-14(21-11)18-13(19)10-6-15(7-10,8-16)20-2/h3-5,10H,6-8,16H2,1-2H3,(H,17,18,19)
InChIKeyVEYRYJQTZKEINA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.30
Rot. Bonds4

About 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide

3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 166276014) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
PubChem CID166276014
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)Nc2nc3c(C)cccc3s2)C1
InChIInChI=1S/C15H19N3O2S/c1-9-4-3-5-11-12(9)17-14(21-11)18-13(19)10-6-15(7-10,8-16)20-2/h3-5,10H,6-8,16H2,1-2H3,(H,17,18,19)
InChIKeyVEYRYJQTZKEINA-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide 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

4-(aminomethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120918147
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17400491
(3R)-1-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9399841
2-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)guanidine
CID 45077657
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 8840432
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
(1R,2S,3R,4R)-3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98221571
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide (CID 166276014) is 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide is COC1(CN)CC(C(=O)Nc2nc3c(C)cccc3s2)C1.
What is the InChIKey of 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
The InChIKey is VEYRYJQTZKEINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-4-3-5-11-12(9)17-14(21-11)18-13(19)10-6-15(7-10,8-16)20-2/h3-5,10H,6-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide?
3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166276014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).