N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C19H17N5OS — CID 9116693

IUPACN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3cn4ccccc4n3)s2)cc1
InChIInChI=1S/C19H17N5OS/c1-12(2)13-6-8-14(9-7-13)18-22-23-19(26-18)21-17(25)15-11-24-10-4-3-5-16(24)20-15/h3-12H,1-2H3,(H,21,23,25)
InChIKeyOLKZVIUXZRYKLO-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.23
Rot. Bonds4

About N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 9116693) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID9116693
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3cn4ccccc4n3)s2)cc1
InChIInChI=1S/C19H17N5OS/c1-12(2)13-6-8-14(9-7-13)18-22-23-19(26-18)21-17(25)15-11-24-10-4-3-5-16(24)20-15/h3-12H,1-2H3,(H,21,23,25)
InChIKeyOLKZVIUXZRYKLO-UHFFFAOYSA-N
XLogP4.23
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 9116693) is N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)c1ccc(-c2nnc(NC(=O)c3cn4ccccc4n3)s2)cc1.
What is the InChIKey of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OLKZVIUXZRYKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12(2)13-6-8-14(9-7-13)18-22-23-19(26-18)21-17(25)15-11-24-10-4-3-5-16(24)20-15/h3-12H,1-2H3,(H,21,23,25).
What are the key properties of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 9116693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).