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'}

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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).