(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H15N3O4S — CID 26001599

IUPAC(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)[C@@H](C)n3c(=O)oc4ccccc43)sc2c1
InChIInChI=1S/C18H15N3O4S/c1-10(21-13-5-3-4-6-14(13)25-18(21)23)16(22)20-17-19-12-8-7-11(24-2)9-15(12)26-17/h3-10H,1-2H3,(H,19,20,22)/t10-/m1/s1
InChIKeyAMJVGTWIHCSMMB-SNVBAGLBSA-N
MW369.40 g/mol
LogP3.41
Rot. Bonds4

About (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 26001599) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID26001599
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)[C@@H](C)n3c(=O)oc4ccccc43)sc2c1
InChIInChI=1S/C18H15N3O4S/c1-10(21-13-5-3-4-6-14(13)25-18(21)23)16(22)20-17-19-12-8-7-11(24-2)9-15(12)26-17/h3-10H,1-2H3,(H,19,20,22)/t10-/m1/s1
InChIKeyAMJVGTWIHCSMMB-SNVBAGLBSA-N
XLogP3.41
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide with MolForge

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 95395042
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4608315
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 2948680
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 4249852
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanamide
CID 43328820
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 26001599) is (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1ccc2nc(NC(=O)[C@@H](C)n3c(=O)oc4ccccc43)sc2c1.
What is the InChIKey of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is AMJVGTWIHCSMMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-10(21-13-5-3-4-6-14(13)25-18(21)23)16(22)20-17-19-12-8-7-11(24-2)9-15(12)26-17/h3-10H,1-2H3,(H,19,20,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 369.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 26001599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).