4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide

C12H14N4O2S — CID 83101060

IUPAC4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc2scnc2c1N
InChIInChI=1S/C12H14N4O2S/c13-10-7(1-2-9-11(10)15-6-19-9)16-3-4-18-5-8(16)12(14)17/h1-2,6,8H,3-5,13H2,(H2,14,17)
InChIKeyUKXPVWIKLZNOLM-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.57
Rot. Bonds2

About 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide

4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide (PubChem CID 83101060) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide
PubChem CID83101060
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc2scnc2c1N
InChIInChI=1S/C12H14N4O2S/c13-10-7(1-2-9-11(10)15-6-19-9)16-3-4-18-5-8(16)12(14)17/h1-2,6,8H,3-5,13H2,(H2,14,17)
InChIKeyUKXPVWIKLZNOLM-UHFFFAOYSA-N
XLogP0.57
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-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-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide
CID 83094570
4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
CID 83094213
4-[5-(aminomethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102569
5-(2-methylmorpholin-4-yl)-1,3-benzothiazol-4-amine
CID 43451171
methyl 5-amino-2-(3-carbamoylmorpholin-4-yl)benzoate
CID 83095654
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
CID 83095887
4-[5-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83095626
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
CID 83095812
2-(3-carbamoylmorpholin-4-yl)-5-nitrobenzoic acid
CID 83098123
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide (CID 83101060) is 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1ccc2scnc2c1N.
What is the InChIKey of 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide?
The InChIKey is UKXPVWIKLZNOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-10-7(1-2-9-11(10)15-6-19-9)16-3-4-18-5-8(16)12(14)17/h1-2,6,8H,3-5,13H2,(H2,14,17).
What are the key properties of 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide?
4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83101060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).