ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C17H13N5O4S — CID 121464800

IUPACethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cccc(C#N)c2n1
InChIInChI=1S/C17H13N5O4S/c1-2-26-17(25)21-14(23)11-5-7-27-16(11)20-15(24)12-9-22-6-3-4-10(8-18)13(22)19-12/h3-7,9H,2H2,1H3,(H,20,24)(H,21,23,25)
InChIKeySWOKICYCSJLEPS-UHFFFAOYSA-N
MW383.39 g/mol
LogP2.41
Rot. Bonds4

About ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 121464800) has the molecular formula C17H13N5O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID121464800
Molecular FormulaC17H13N5O4S
Molecular Weight383.39 g/mol
Exact Mass383.07
IUPAC Nameethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cccc(C#N)c2n1
InChIInChI=1S/C17H13N5O4S/c1-2-26-17(25)21-14(23)11-5-7-27-16(11)20-15(24)12-9-22-6-3-4-10(8-18)13(22)19-12/h3-7,9H,2H2,1H3,(H,20,24)(H,21,23,25)
InChIKeySWOKICYCSJLEPS-UHFFFAOYSA-N
XLogP2.41
TPSA125.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 86581979
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
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-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 121464913
ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121465048

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 121464800) is ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cccc(C#N)c2n1.
What is the InChIKey of ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is SWOKICYCSJLEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S/c1-2-26-17(25)21-14(23)11-5-7-27-16(11)20-15(24)12-9-22-6-3-4-10(8-18)13(22)19-12/h3-7,9H,2H2,1H3,(H,20,24)(H,21,23,25).
What are the key properties of ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 383.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).