1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

C18H16BrN3S — CID 3003540

IUPAC1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN3S/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)21-18(23)22-17-10-9-14(19)11-20-17/h2-12H,1H3,(H2,20,21,22,23)/t12-/m1/s1
InChIKeyGIIOOUZUBOEIHO-GFCCVEGCSA-N
MW386.32 g/mol
LogP5.04
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 3003540) has the molecular formula C18H16BrN3S and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
PubChem CID3003540
Molecular FormulaC18H16BrN3S
Molecular Weight386.32 g/mol
Exact Mass385.02
IUPAC Name1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN3S/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)21-18(23)22-17-10-9-14(19)11-20-17/h2-12H,1H3,(H2,20,21,22,23)/t12-/m1/s1
InChIKeyGIIOOUZUBOEIHO-GFCCVEGCSA-N
XLogP5.04
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 55.04
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)-1-naphthalen-1-ylethyl]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

Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2,6-difluorophenyl)ethyl)-
CID 3001078
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
1-(5-bromopyridin-2-yl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea
CID 3003667
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
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(3-(dimethylamino)-2,6-difluorophenyl)ethyl)-
CID 3001148
Thiourea, N-(3-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 3001118
1-(5-bromo-2-pyridyl)-3-[(1R)-1-cyclohexylethyl]thiourea
CID 3002352
4-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine Hydrochloride
CID 2947134
N-(3-bromophenyl)isoquinolin-1-amine
CID 4321095
1-(5-bromo-2-pyridyl)-3-[(1R)-1-phenylethyl]thiourea
CID 3002360

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (CID 3003540) is 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1cccc2ccccc12.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is GIIOOUZUBOEIHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16BrN3S/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)21-18(23)22-17-10-9-14(19)11-20-17/h2-12H,1H3,(H2,20,21,22,23)/t12-/m1/s1.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
1-(5-bromo-2-pyridinyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 386.32 g/mol, XLogP of 5.04, 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)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 3003540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).