N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide

C22H18N4O2S — CID 89098843

IUPACN-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cccc(Oc2cccc(NC(=S)NC(=O)c3ccc4nccn4c3)c2)c1
InChIInChI=1S/C22H18N4O2S/c1-15-4-2-6-18(12-15)28-19-7-3-5-17(13-19)24-22(29)25-21(27)16-8-9-20-23-10-11-26(20)14-16/h2-14H,1H3,(H2,24,25,27,29)
InChIKeyMONWYKQHNNKKIM-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.56
Rot. Bonds4

About N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 89098843) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID89098843
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cccc(Oc2cccc(NC(=S)NC(=O)c3ccc4nccn4c3)c2)c1
InChIInChI=1S/C22H18N4O2S/c1-15-4-2-6-18(12-15)28-19-7-3-5-17(13-19)24-22(29)25-21(27)16-8-9-20-23-10-11-26(20)14-16/h2-14H,1H3,(H2,24,25,27,29)
InChIKeyMONWYKQHNNKKIM-UHFFFAOYSA-N
XLogP4.56
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 882848
3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 883436
N-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704035
N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide
CID 2289109
3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide
CID 59787083
6-cyano-N-[(3-phenoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59700786
N-[(3-hexoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 17094900
3-[(4-ethoxybenzoyl)carbamothioylamino]-N-(3-methylphenyl)benzamide
CID 26164999
3-methyl-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17231611
4-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169981
3,5-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide;ethane
CID 142899413

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 89098843) is N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1cccc(Oc2cccc(NC(=S)NC(=O)c3ccc4nccn4c3)c2)c1.
What is the InChIKey of N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MONWYKQHNNKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-15-4-2-6-18(12-15)28-19-7-3-5-17(13-19)24-22(29)25-21(27)16-8-9-20-23-10-11-26(20)14-16/h2-14H,1H3,(H2,24,25,27,29).
What are the key properties of N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 89098843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).