1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea

C16H12F3N5OS — CID 91642545

IUPAC1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea
SMILESO=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1cn2ccccc2n1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)10-4-6-11(7-5-10)20-15(26)23-22-14(25)12-9-24-8-2-1-3-13(24)21-12/h1-9H,(H,22,25)(H2,20,23,26)
InChIKeyROIBBJCYMZIVBT-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.98
Rot. Bonds2

About 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea

1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea (PubChem CID 91642545) has the molecular formula C16H12F3N5OS and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea
PubChem CID91642545
Molecular FormulaC16H12F3N5OS
Molecular Weight379.37 g/mol
Exact Mass379.07
IUPAC Name1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea
SMILESO=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1cn2ccccc2n1
InChIInChI=1S/C16H12F3N5OS/c17-16(18,19)10-4-6-11(7-5-10)20-15(26)23-22-14(25)12-9-24-8-2-1-3-13(24)21-12/h1-9H,(H,22,25)(H2,20,23,26)
InChIKeyROIBBJCYMZIVBT-UHFFFAOYSA-N
XLogP2.98
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea
CID 91647418
imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 159608487
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
6-(2-hydroxypropan-2-yl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 68615391
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 142291499
1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
CID 10088570
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122284110
N-[4-(2-oxoimidazolidin-1-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51300194
N-(3-acetylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 18079676

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea?
The IUPAC name of 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea (CID 91642545) is 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea?
The canonical SMILES for 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea is O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1cn2ccccc2n1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea?
The InChIKey is ROIBBJCYMZIVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5OS/c17-16(18,19)10-4-6-11(7-5-10)20-15(26)23-22-14(25)12-9-24-8-2-1-3-13(24)21-12/h1-9H,(H,22,25)(H2,20,23,26).
What are the key properties of 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea?
1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea has a molecular weight of 379.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea is sourced from PubChem (CID 91642545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).