N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide

C13H15N3O3S2 — CID 96564072

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-n2cccc2)n1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H15N3O3S2/c17-12(14-10-3-6-21(18,19)9-10)7-11-8-20-13(15-11)16-4-1-2-5-16/h1-2,4-5,8,10H,3,6-7,9H2,(H,14,17)/t10-/m1/s1
InChIKeyOETIHTHEEIANLJ-SNVBAGLBSA-N
MW325.41 g/mol
LogP0.78
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 96564072) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
PubChem CID96564072
Molecular FormulaC13H15N3O3S2
Molecular Weight325.41 g/mol
Exact Mass325.06
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-n2cccc2)n1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H15N3O3S2/c17-12(14-10-3-6-21(18,19)9-10)7-11-8-20-13(15-11)16-4-1-2-5-16/h1-2,4-5,8,10H,3,6-7,9H2,(H,14,17)/t10-/m1/s1
InChIKeyOETIHTHEEIANLJ-SNVBAGLBSA-N
XLogP0.78
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanone
CID 52996239
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 41063797
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46558909
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51929410
3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110330131
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 95321073
N-(1,1-dioxothiolan-3-yl)-2-pyrazol-1-ylacetamide
CID 110689965
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815676
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
CID 56762560
N-(1,1-dioxothiolan-3-yl)-4-pyrrol-1-ylbutanamide
CID 128963547

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide (CID 96564072) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-n2cccc2)n1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OETIHTHEEIANLJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-12(14-10-3-6-21(18,19)9-10)7-11-8-20-13(15-11)16-4-1-2-5-16/h1-2,4-5,8,10H,3,6-7,9H2,(H,14,17)/t10-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 96564072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).