(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

C15H19N3O3S — CID 120782820

IUPAC(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)[C@@H]3CC[C@H](CN)O3)sc2c1
InChIInChI=1S/C15H19N3O3S/c1-2-20-9-3-5-11-13(7-9)22-15(17-11)18-14(19)12-6-4-10(8-16)21-12/h3,5,7,10,12H,2,4,6,8,16H2,1H3,(H,17,18,19)/t10-,12+/m1/s1
InChIKeyOEFNQCZPEAIRKW-PWSUYJOCSA-N
MW321.40 g/mol
LogP2.14
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (PubChem CID 120782820) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
PubChem CID120782820
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)[C@@H]3CC[C@H](CN)O3)sc2c1
InChIInChI=1S/C15H19N3O3S/c1-2-20-9-3-5-11-13(7-9)22-15(17-11)18-14(19)12-6-4-10(8-16)21-12/h3,5,7,10,12H,2,4,6,8,16H2,1H3,(H,17,18,19)/t10-,12+/m1/s1
InChIKeyOEFNQCZPEAIRKW-PWSUYJOCSA-N
XLogP2.14
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-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

(2S,5R)-5-(aminomethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120784969
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783043
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
(2S,5R)-5-(aminomethyl)-N-(3-ethoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120786061
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 8571688
(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792360
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982440

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (CID 120782820) is (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is CCOc1ccc2nc(NC(=O)[C@@H]3CC[C@H](CN)O3)sc2c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is OEFNQCZPEAIRKW-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-20-9-3-5-11-13(7-9)22-15(17-11)18-14(19)12-6-4-10(8-16)21-12/h3,5,7,10,12H,2,4,6,8,16H2,1H3,(H,17,18,19)/t10-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120782820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).