N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

C21H21N5OS — CID 108801371

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)s1
InChIInChI=1S/C21H21N5OS/c1-3-14(4-2)20-24-25-21(28-20)23-19(27)16-10-11-26-13-17(22-18(26)12-16)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,23,25,27)
InChIKeyVWPBIYYVXRFPPU-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.01
Rot. Bonds6

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 108801371) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID108801371
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)s1
InChIInChI=1S/C21H21N5OS/c1-3-14(4-2)20-24-25-21(28-20)23-19(27)16-10-11-26-13-17(22-18(26)12-16)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,23,25,27)
InChIKeyVWPBIYYVXRFPPU-UHFFFAOYSA-N
XLogP5.01
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide with MolForge

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Related Compounds

methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801388
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
methyl 3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801384
N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801482
butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108788473
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 108810602
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
N-(5-acetamido-2-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788562
N-[(4-carbamoylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801462
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (CID 108801371) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is CCC(CC)c1nnc(NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is VWPBIYYVXRFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-3-14(4-2)20-24-25-21(28-20)23-19(27)16-10-11-26-13-17(22-18(26)12-16)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,23,25,27).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 108801371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).