ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C16H14N4O4S — CID 86581979

IUPACethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C16H14N4O4S/c1-2-24-16(23)19-13(21)10-6-8-25-15(10)18-14(22)11-9-20-7-4-3-5-12(20)17-11/h3-9H,2H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyZBTSRFJWRPQMHB-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.53
Rot. Bonds4

About ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 86581979) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID86581979
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Nameethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C16H14N4O4S/c1-2-24-16(23)19-13(21)10-6-8-25-15(10)18-14(22)11-9-20-7-4-3-5-12(20)17-11/h3-9H,2H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyZBTSRFJWRPQMHB-UHFFFAOYSA-N
XLogP2.53
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464800
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
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-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51969987
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 43419304
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 86581979) is ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2ccccc2n1.
What is the InChIKey of ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is ZBTSRFJWRPQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-2-24-16(23)19-13(21)10-6-8-25-15(10)18-14(22)11-9-20-7-4-3-5-12(20)17-11/h3-9H,2H2,1H3,(H,18,22)(H,19,21,23).
What are the key properties of ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 358.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 86581979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).