N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H23N5OS — CID 10069862

IUPACN-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCn1c(-c2ccccc2)cs/c1=N/NC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C22H23N5OS/c1-3-4-13-26-18(17-10-6-5-7-11-17)15-29-22(26)25-24-21(28)20-16(2)23-19-12-8-9-14-27(19)20/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,28)/b25-22+
InChIKeyJZJPEUBDLWIITQ-YYDJUVGSSA-N
MW405.53 g/mol
LogP4.22
Rot. Bonds6

About N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 10069862) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID10069862
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCn1c(-c2ccccc2)cs/c1=N/NC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C22H23N5OS/c1-3-4-13-26-18(17-10-6-5-7-11-17)15-29-22(26)25-24-21(28)20-16(2)23-19-12-8-9-14-27(19)20/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,28)/b25-22+
InChIKeyJZJPEUBDLWIITQ-YYDJUVGSSA-N
XLogP4.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
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CID 15496669
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
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3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
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4-[(E)-N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-C-methylcarbonimidoyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 10389493
3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121023774
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 10069862) is N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCCCn1c(-c2ccccc2)cs/c1=N/NC(=O)c1c(C)nc2ccccn12.
What is the InChIKey of N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JZJPEUBDLWIITQ-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-3-4-13-26-18(17-10-6-5-7-11-17)15-29-22(26)25-24-21(28)20-16(2)23-19-12-8-9-14-27(19)20/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,28)/b25-22+.
What are the key properties of N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 10069862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).