5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide

C14H15N3O4S — CID 164809244

IUPAC5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide
SMILESCOc1cc2c(OC[C@@H]3CCC(=O)N3)nsc2cc1C(N)=O
InChIInChI=1S/C14H15N3O4S/c1-20-10-4-9-11(5-8(10)13(15)19)22-17-14(9)21-6-7-2-3-12(18)16-7/h4-5,7H,2-3,6H2,1H3,(H2,15,19)(H,16,18)/t7-/m0/s1
InChIKeyXBZUGWAHDWCVDW-ZETCQYMHSA-N
MW321.36 g/mol
LogP1.06
Rot. Bonds5

About 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide

5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide (PubChem CID 164809244) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide
PubChem CID164809244
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide
SMILESCOc1cc2c(OC[C@@H]3CCC(=O)N3)nsc2cc1C(N)=O
InChIInChI=1S/C14H15N3O4S/c1-20-10-4-9-11(5-8(10)13(15)19)22-17-14(9)21-6-7-2-3-12(18)16-7/h4-5,7H,2-3,6H2,1H3,(H2,15,19)(H,16,18)/t7-/m0/s1
InChIKeyXBZUGWAHDWCVDW-ZETCQYMHSA-N
XLogP1.06
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(dimethylamino)prop-1-ynyl]-7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 164787204
7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carbothioic S-acid
CID 142580683
N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide
CID 142580620
4-bromo-1-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 126622165
[7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinolin-6-yl]thiourea
CID 155092768
7-(oxetan-3-yloxy)-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide
CID 166972503
4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 138726883
1-[[(4S)-4-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972613
7-methoxy-1-[[(2S,4S)-4-(oxetan-3-yl)-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414738
3-chloro-5-methoxy-4-[(5-oxopyrrolidin-2-yl)methoxy]benzoic acid
CID 117053259
1-[2-[(2S)-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214180
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide?
The IUPAC name of 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide (CID 164809244) is 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide is COc1cc2c(OC[C@@H]3CCC(=O)N3)nsc2cc1C(N)=O.
What is the InChIKey of 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide?
The InChIKey is XBZUGWAHDWCVDW-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-20-10-4-9-11(5-8(10)13(15)19)22-17-14(9)21-6-7-2-3-12(18)16-7/h4-5,7H,2-3,6H2,1H3,(H2,15,19)(H,16,18)/t7-/m0/s1.
What are the key properties of 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide?
5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 164809244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).