2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide

C18H15F3N4O3S2 — CID 39055041

IUPAC2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)Nc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C18H15F3N4O3S2/c19-18(20,21)9-28-11-3-4-12-13(7-11)30-16(23-12)24-14(26)6-10-8-29-17(22-10)25-5-1-2-15(25)27/h3-4,7-8H,1-2,5-6,9H2,(H,23,24,26)
InChIKeyRPKNLQVQJHTXMA-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.00
Rot. Bonds6

About 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 39055041) has the molecular formula C18H15F3N4O3S2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
PubChem CID39055041
Molecular FormulaC18H15F3N4O3S2
Molecular Weight456.47 g/mol
Exact Mass456.05
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)Nc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C18H15F3N4O3S2/c19-18(20,21)9-28-11-3-4-12-13(7-11)30-16(23-12)24-14(26)6-10-8-29-17(22-10)25-5-1-2-15(25)27/h3-4,7-8H,1-2,5-6,9H2,(H,23,24,26)
InChIKeyRPKNLQVQJHTXMA-UHFFFAOYSA-N
XLogP4.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55810226
N-(2-methyl-4-propan-2-yloxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55887427
2-(2-nitrophenyl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 39055134
1-amino-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 119719194
2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119719224
N-(2,5-dibromophenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39166455
N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42353461
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27825242
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 9322230
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119419612
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119719212

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide (CID 39055041) is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide is O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc2ccc(OCC(F)(F)F)cc2s1.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is RPKNLQVQJHTXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S2/c19-18(20,21)9-28-11-3-4-12-13(7-11)30-16(23-12)24-14(26)6-10-8-29-17(22-10)25-5-1-2-15(25)27/h3-4,7-8H,1-2,5-6,9H2,(H,23,24,26).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide?
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 456.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 39055041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).