N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide

C13H19N3O3S2 — CID 94021340

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H19N3O3S2/c1-16(9-5-6-21(18,19)8-9)7-12(17)15-13-14-10-3-2-4-11(10)20-13/h9H,2-8H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyFJMGUWPHXLGCPW-SECBINFHSA-N
MW329.45 g/mol
LogP0.69
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide (PubChem CID 94021340) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
PubChem CID94021340
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H19N3O3S2/c1-16(9-5-6-21(18,19)8-9)7-12(17)15-13-14-10-3-2-4-11(10)20-13/h9H,2-8H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyFJMGUWPHXLGCPW-SECBINFHSA-N
XLogP0.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 9115993
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 33041075
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 79610790
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(4-chloro-2-fluorophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 9110326
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 42917926
N-(3,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 29112590
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
CID 51548054
N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide (CID 94021340) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide is CN(CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
The InChIKey is FJMGUWPHXLGCPW-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-16(9-5-6-21(18,19)8-9)7-12(17)15-13-14-10-3-2-4-11(10)20-13/h9H,2-8H2,1H3,(H,14,15,17)/t9-/m1/s1.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide has a molecular weight of 329.45 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide is sourced from PubChem (CID 94021340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).