1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea

C15H12BrN5OS — CID 91647418

IUPAC1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1cccc(Br)c1)c1cn2ccccc2n1
InChIInChI=1S/C15H12BrN5OS/c16-10-4-3-5-11(8-10)17-15(23)20-19-14(22)12-9-21-7-2-1-6-13(21)18-12/h1-9H,(H,19,22)(H2,17,20,23)
InChIKeyXNKFHBNEJNHRBE-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.73
Rot. Bonds2

About 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea

1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea (PubChem CID 91647418) has the molecular formula C15H12BrN5OS and a molecular weight of 390.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea
PubChem CID91647418
Molecular FormulaC15H12BrN5OS
Molecular Weight390.27 g/mol
Exact Mass388.99
IUPAC Name1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1cccc(Br)c1)c1cn2ccccc2n1
InChIInChI=1S/C15H12BrN5OS/c16-10-4-3-5-11(8-10)17-15(23)20-19-14(22)12-9-21-7-2-1-6-13(21)18-12/h1-9H,(H,19,22)(H2,17,20,23)
InChIKeyXNKFHBNEJNHRBE-UHFFFAOYSA-N
XLogP2.73
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.73
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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Related Compounds

1-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 91642545
1-(3-bromophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 26956955
N-(3-acetylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 18079676
N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 18096051
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 17418145
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
1-(3-bromophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9237042
1-[(imidazo[1,2-a]pyridine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362941

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea?
The IUPAC name of 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea (CID 91647418) is 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea?
The canonical SMILES for 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea is O=C(NNC(=S)Nc1cccc(Br)c1)c1cn2ccccc2n1.
What is the InChIKey of 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea?
The InChIKey is XNKFHBNEJNHRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5OS/c16-10-4-3-5-11(8-10)17-15(23)20-19-14(22)12-9-21-7-2-1-6-13(21)18-12/h1-9H,(H,19,22)(H2,17,20,23).
What are the key properties of 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea?
1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea has a molecular weight of 390.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(imidazo[1,2-a]pyridine-2-carbonylamino)thiourea is sourced from PubChem (CID 91647418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).