1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea

C15H14BrN3S — CID 3003667

IUPAC1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea
SMILESS=C(Nc1ccc(Br)cn1)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H14BrN3S/c16-11-6-7-14(17-9-11)19-15(20)18-13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H2,17,18,19,20)/t12-,13-/m1/s1
InChIKeyWDYJSZQUBJOQCI-CHWSQXEVSA-N
MW348.27 g/mol
LogP3.69
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea

1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea (PubChem CID 3003667) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea
PubChem CID3003667
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea
SMILESS=C(Nc1ccc(Br)cn1)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H14BrN3S/c16-11-6-7-14(17-9-11)19-15(20)18-13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H2,17,18,19,20)/t12-,13-/m1/s1
InChIKeyWDYJSZQUBJOQCI-CHWSQXEVSA-N
XLogP3.69
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]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

N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
Trovirdine
CID 3000870
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2,6-difluorophenyl)ethyl)-
CID 3001078
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
Trovirdine hydrochloride
CID 5327620
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
Thiourea, N-(2-phenylethyl)-N'-2-pyridinyl-
CID 799959
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001122
HI-240
CID 3001767
N-[2-(3-Fluorophenethyl)]-N'-[2-(5-bromopyridyl)]-thiourea
CID 3001770
1-(5-Bromopyridin-2-yl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 3002105

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea (CID 3003667) is 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea is S=C(Nc1ccc(Br)cn1)N[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea?
The InChIKey is WDYJSZQUBJOQCI-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H14BrN3S/c16-11-6-7-14(17-9-11)19-15(20)18-13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H2,17,18,19,20)/t12-,13-/m1/s1.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea?
1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea has a molecular weight of 348.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea is sourced from PubChem (CID 3003667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).