N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide

C14H17N3O3S — CID 115581762

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)N3CCOCC3)sc2c1
InChIInChI=1S/C14H17N3O3S/c1-2-20-10-3-4-11-12(9-10)21-13(15-11)16-14(18)17-5-7-19-8-6-17/h3-4,9H,2,5-8H2,1H3,(H,15,16,18)
InChIKeyKASGQJJRDZHMJO-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.56
Rot. Bonds3

About N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide (PubChem CID 115581762) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
PubChem CID115581762
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)N3CCOCC3)sc2c1
InChIInChI=1S/C14H17N3O3S/c1-2-20-10-3-4-11-12(9-10)21-13(15-11)16-14(18)17-5-7-19-8-6-17/h3-4,9H,2,5-8H2,1H3,(H,15,16,18)
InChIKeyKASGQJJRDZHMJO-UHFFFAOYSA-N
XLogP2.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-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-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 88910072
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide
CID 126781000
2-(2,2-dimethylmorpholin-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 37403117
3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740861
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
1-(3,3-diphenylpropyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
CID 73356416
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide (CID 115581762) is N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide is CCOc1ccc2nc(NC(=O)N3CCOCC3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is KASGQJJRDZHMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-20-10-3-4-11-12(9-10)21-13(15-11)16-14(18)17-5-7-19-8-6-17/h3-4,9H,2,5-8H2,1H3,(H,15,16,18).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 115581762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).