6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

C17H13N5O2S — CID 68781626

IUPAC6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nncs1)c1cn2cc(-c3cccc(CO)c3)ccc2n1
InChIInChI=1S/C17H13N5O2S/c23-9-11-2-1-3-12(6-11)13-4-5-15-19-14(8-22(15)7-13)16(24)20-17-21-18-10-25-17/h1-8,10,23H,9H2,(H,20,21,24)
InChIKeyWVIXCRLVXBFCRB-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.60
Rot. Bonds4

About 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 68781626) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID68781626
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nncs1)c1cn2cc(-c3cccc(CO)c3)ccc2n1
InChIInChI=1S/C17H13N5O2S/c23-9-11-2-1-3-12(6-11)13-4-5-15-19-14(8-22(15)7-13)16(24)20-17-21-18-10-25-17/h1-8,10,23H,9H2,(H,20,21,24)
InChIKeyWVIXCRLVXBFCRB-UHFFFAOYSA-N
XLogP2.60
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 68781626) is 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1nncs1)c1cn2cc(-c3cccc(CO)c3)ccc2n1.
What is the InChIKey of 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WVIXCRLVXBFCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-9-11-2-1-3-12(6-11)13-4-5-15-19-14(8-22(15)7-13)16(24)20-17-21-18-10-25-17/h1-8,10,23H,9H2,(H,20,21,24).
What are the key properties of 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 68781626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).