N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide

C21H19N5O3S — CID 24541645

IUPACN'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(OCc2nc(C(=O)NNC(=O)c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C21H19N5O3S/c1-13-6-8-15(9-7-13)29-11-18-23-16(12-30-18)20(27)24-25-21(28)19-14(2)22-17-5-3-4-10-26(17)19/h3-10,12H,11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGRWLPFVIADTXMD-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.06
Rot. Bonds5

About N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide

N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 24541645) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
PubChem CID24541645
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(OCc2nc(C(=O)NNC(=O)c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C21H19N5O3S/c1-13-6-8-15(9-7-13)29-11-18-23-16(12-30-18)20(27)24-25-21(28)19-14(2)22-17-5-3-4-10-26(17)19/h3-10,12H,11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGRWLPFVIADTXMD-UHFFFAOYSA-N
XLogP3.06
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121023774
N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 25443390
2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide
CID 41365907
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39696626
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-benzoyloxyethyl 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 43056522
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 56810579
2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014469
2-[(4-methylphenoxy)methyl]-N-[(1R,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014468

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide (CID 24541645) is N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide is Cc1ccc(OCc2nc(C(=O)NNC(=O)c3c(C)nc4ccccn34)cs2)cc1.
What is the InChIKey of N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is GRWLPFVIADTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-13-6-8-15(9-7-13)29-11-18-23-16(12-30-18)20(27)24-25-21(28)19-14(2)22-17-5-3-4-10-26(17)19/h3-10,12H,11H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 421.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 24541645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).