2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

C12H14N2O2S — CID 47300462

IUPAC2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCOC(C)C(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C12H14N2O2S/c1-7(16-3)12(15)14-9-4-5-10-11(6-9)17-8(2)13-10/h4-7H,1-3H3,(H,14,15)
InChIKeyCRDOTMNBDPWISA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.58
Rot. Bonds3

About 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 47300462) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID47300462
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCOC(C)C(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C12H14N2O2S/c1-7(16-3)12(15)14-9-4-5-10-11(6-9)17-8(2)13-10/h4-7H,1-3H3,(H,14,15)
InChIKeyCRDOTMNBDPWISA-UHFFFAOYSA-N
XLogP2.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 7742007
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
4-methoxy-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]benzamide
CID 8011547
(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 51966820
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 47300462) is 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is COC(C)C(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is CRDOTMNBDPWISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7(16-3)12(15)14-9-4-5-10-11(6-9)17-8(2)13-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 250.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 47300462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).