N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide

C16H16N4O3S2 — CID 121467098

IUPACN-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC1SCC=C1C(=O)N1CCNC1=O)C1Nc2ccccc2S1
InChIInChI=1S/C16H16N4O3S2/c21-12(14-18-10-3-1-2-4-11(10)25-14)19-13-9(5-8-24-13)15(22)20-7-6-17-16(20)23/h1-5,13-14,18H,6-8H2,(H,17,23)(H,19,21)
InChIKeyDWHMEAZVEIXZQB-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.20
Rot. Bonds3

About N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide

N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide (PubChem CID 121467098) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
PubChem CID121467098
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC NameN-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
SMILESO=C(NC1SCC=C1C(=O)N1CCNC1=O)C1Nc2ccccc2S1
InChIInChI=1S/C16H16N4O3S2/c21-12(14-18-10-3-1-2-4-11(10)25-14)19-13-9(5-8-24-13)15(22)20-7-6-17-16(20)23/h1-5,13-14,18H,6-8H2,(H,17,23)(H,19,21)
InChIKeyDWHMEAZVEIXZQB-UHFFFAOYSA-N
XLogP1.20
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate
CID 121467169
2-phenylmethoxyethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carbonyl]carbamate
CID 121467067
N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 121467016
N-[3-(ethylcarbamoylcarbamoyl)thiolan-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 123729004
N-[3-(butanoylcarbamoyl)thiolan-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 123599404
1-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
CID 140594652
2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid
CID 154116351
2-(2-ethoxyethoxy)ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123249845
N-cycloheptyl-1-(3-oxo-4H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide
CID 46390618
1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one
CID 122270464
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazolidin-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 130473452
2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide (CID 121467098) is N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide is O=C(NC1SCC=C1C(=O)N1CCNC1=O)C1Nc2ccccc2S1.
What is the InChIKey of N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is DWHMEAZVEIXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c21-12(14-18-10-3-1-2-4-11(10)25-14)19-13-9(5-8-24-13)15(22)20-7-6-17-16(20)23/h1-5,13-14,18H,6-8H2,(H,17,23)(H,19,21).
What are the key properties of N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide?
N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoimidazolidine-1-carbonyl)-2,5-dihydrothiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 121467098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).