2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C15H23N3O2S — CID 110680702

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2c(s1)CC(C(=O)NCCN1CCOCC1)CC2
InChIInChI=1S/C15H23N3O2S/c1-11-17-13-3-2-12(10-14(13)21-11)15(19)16-4-5-18-6-8-20-9-7-18/h12H,2-10H2,1H3,(H,16,19)
InChIKeyYSFQXQCUOSKKMD-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.00
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 110680702) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID110680702
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2c(s1)CC(C(=O)NCCN1CCOCC1)CC2
InChIInChI=1S/C15H23N3O2S/c1-11-17-13-3-2-12(10-14(13)21-11)15(19)16-4-5-18-6-8-20-9-7-18/h12H,2-10H2,1H3,(H,16,19)
InChIKeyYSFQXQCUOSKKMD-UHFFFAOYSA-N
XLogP1.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-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

N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680730
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200718
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202912
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680812
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202936
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202942
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56708569
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 110680702) is 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is Cc1nc2c(s1)CC(C(=O)NCCN1CCOCC1)CC2.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is YSFQXQCUOSKKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-17-13-3-2-12(10-14(13)21-11)15(19)16-4-5-18-6-8-20-9-7-18/h12H,2-10H2,1H3,(H,16,19).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110680702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).