[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate

C19H18N4O4S2 — CID 167761830

IUPAC[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESO=C(COC(=O)c1cc2sc(N3CCCC3)nc2s1)NC(=O)Nc1ccccc1
InChIInChI=1S/C19H18N4O4S2/c24-15(21-18(26)20-12-6-2-1-3-7-12)11-27-17(25)14-10-13-16(28-14)22-19(29-13)23-8-4-5-9-23/h1-3,6-7,10H,4-5,8-9,11H2,(H2,20,21,24,26)
InChIKeyBSNORNOIGDIIAS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.46
Rot. Bonds5

About [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate

[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 167761830) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID167761830
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESO=C(COC(=O)c1cc2sc(N3CCCC3)nc2s1)NC(=O)Nc1ccccc1
InChIInChI=1S/C19H18N4O4S2/c24-15(21-18(26)20-12-6-2-1-3-7-12)11-27-17(25)14-10-13-16(28-14)22-19(29-13)23-8-4-5-9-23/h1-3,6-7,10H,4-5,8-9,11H2,(H2,20,21,24,26)
InChIKeyBSNORNOIGDIIAS-UHFFFAOYSA-N
XLogP3.46
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242
(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651356
2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618803
N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 139007461
N-[4-(aminomethyl)-2-methoxyphenyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166270653
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516847
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7158864
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 47818632
2-methyl-3-[methyl-(2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carbonyl)amino]propanoic acid
CID 122111450
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
CID 8539985
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 136538806

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate (CID 167761830) is [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate is O=C(COC(=O)c1cc2sc(N3CCCC3)nc2s1)NC(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is BSNORNOIGDIIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c24-15(21-18(26)20-12-6-2-1-3-7-12)11-27-17(25)14-10-13-16(28-14)22-19(29-13)23-8-4-5-9-23/h1-3,6-7,10H,4-5,8-9,11H2,(H2,20,21,24,26).
What are the key properties of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate?
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 167761830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).