N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

C14H14FN3O3S — CID 122157683

IUPACN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOc1cc(F)cc2sc(NC(=O)CN3CCCC3=O)nc12
InChIInChI=1S/C14H14FN3O3S/c1-21-9-5-8(15)6-10-13(9)17-14(22-10)16-11(19)7-18-4-2-3-12(18)20/h5-6H,2-4,7H2,1H3,(H,16,17,19)
InChIKeyFEPRSZIDCHEOPY-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.00
Rot. Bonds4

About N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 122157683) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID122157683
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC NameN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOc1cc(F)cc2sc(NC(=O)CN3CCCC3=O)nc12
InChIInChI=1S/C14H14FN3O3S/c1-21-9-5-8(15)6-10-13(9)17-14(22-10)16-11(19)7-18-4-2-3-12(18)20/h5-6H,2-4,7H2,1H3,(H,16,17,19)
InChIKeyFEPRSZIDCHEOPY-UHFFFAOYSA-N
XLogP2.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide
CID 56801308
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78867878
N-benzo[e][1,3]benzothiazol-2-yl-2-(2-oxoazocan-1-yl)acetamide
CID 55755320
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78861484
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43989296
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7543023
N-[6-(butan-2-ylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]propanamide
CID 46325998
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 56825796

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 122157683) is N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide is COc1cc(F)cc2sc(NC(=O)CN3CCCC3=O)nc12.
What is the InChIKey of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is FEPRSZIDCHEOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-21-9-5-8(15)6-10-13(9)17-14(22-10)16-11(19)7-18-4-2-3-12(18)20/h5-6H,2-4,7H2,1H3,(H,16,17,19).
What are the key properties of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 122157683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).