2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate

C14H12N2O2S — CID 75397455

IUPAC2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate
SMILESO=C(OCCc1cccs1)c1ccn2ccnc2c1
InChIInChI=1S/C14H12N2O2S/c17-14(18-8-4-12-2-1-9-19-12)11-3-6-16-7-5-15-13(16)10-11/h1-3,5-7,9-10H,4,8H2
InChIKeyLQGZNWAKZPKLII-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.80
Rot. Bonds4

About 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate

2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 75397455) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID75397455
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate
SMILESO=C(OCCc1cccs1)c1ccn2ccnc2c1
InChIInChI=1S/C14H12N2O2S/c17-14(18-8-4-12-2-1-9-19-12)11-3-6-16-7-5-15-13(16)10-11/h1-3,5-7,9-10H,4,8H2
InChIKeyLQGZNWAKZPKLII-UHFFFAOYSA-N
XLogP2.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-ylethyl 3-(aminomethyl)benzoate
CID 54966662
2-thiophen-2-ylethyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 51096159
ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
CID 143707099
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
CID 113227820
2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate
CID 106547524
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
imidazo[1,2-a]pyridin-6-yl-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56785307
2-thiophen-2-ylethyl 2,3-diamino-5-methylbenzoate
CID 81444536
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-thiophen-2-ylethyl 1-chloroisoquinoline-4-carboxylate
CID 106777636

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate (CID 75397455) is 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate is O=C(OCCc1cccs1)c1ccn2ccnc2c1.
What is the InChIKey of 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is LQGZNWAKZPKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-14(18-8-4-12-2-1-9-19-12)11-3-6-16-7-5-15-13(16)10-11/h1-3,5-7,9-10H,4,8H2.
What are the key properties of 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate?
2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 75397455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).