ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate

C13H12N4O4S — CID 121464823

IUPACethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncnc1
InChIInChI=1S/C13H12N4O4S/c1-2-21-13(20)17-11(19)9-3-4-22-12(9)16-10(18)8-5-14-7-15-6-8/h3-7H,2H2,1H3,(H,16,18)(H,17,19,20)
InChIKeySJYBCASXYHCJDM-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.68
Rot. Bonds4

About ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121464823) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121464823
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC Nameethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncnc1
InChIInChI=1S/C13H12N4O4S/c1-2-21-13(20)17-11(19)9-3-4-22-12(9)16-10(18)8-5-14-7-15-6-8/h3-7H,2H2,1H3,(H,16,18)(H,17,19,20)
InChIKeySJYBCASXYHCJDM-UHFFFAOYSA-N
XLogP1.68
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate 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

ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000
propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate
CID 86582902
ethyl N-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]thiophene-3-carbonyl]carbamate
CID 121465085

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121464823) is ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncnc1.
What is the InChIKey of ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is SJYBCASXYHCJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S/c1-2-21-13(20)17-11(19)9-3-4-22-12(9)16-10(18)8-5-14-7-15-6-8/h3-7H,2H2,1H3,(H,16,18)(H,17,19,20).
What are the key properties of ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 320.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).