1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea

C19H19N3S — CID 19703669

IUPAC1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea
SMILESCc1cccnc1NC(=S)NCCc1ccc2ccccc2c1
InChIInChI=1S/C19H19N3S/c1-14-5-4-11-20-18(14)22-19(23)21-12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-9,11,13H,10,12H2,1H3,(H2,20,21,22,23)
InChIKeyKTGXTSMTKJATIG-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea

1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea (PubChem CID 19703669) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea
PubChem CID19703669
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea
SMILESCc1cccnc1NC(=S)NCCc1ccc2ccccc2c1
InChIInChI=1S/C19H19N3S/c1-14-5-4-11-20-18(14)22-19(23)21-12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-9,11,13H,10,12H2,1H3,(H2,20,21,22,23)
InChIKeyKTGXTSMTKJATIG-UHFFFAOYSA-N
XLogP4.07
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 19685990
1-butyl-3-(3-methyl-2-pyridinyl)thiourea
CID 19685982
1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
CID 19703671
1-(1H-imidazol-2-yl)-3-(2-naphthalen-2-ylethyl)thiourea
CID 19703354
1-(3-methyl-2-pyridinyl)-3-[2-(2,3,5-trichlorophenyl)ethyl]thiourea
CID 19704195
1-(3-bromo-2-pyridinyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19703420
1-[3-(4-methylphenyl)sulfanylpropyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100688978
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
1-(3-methyl-2-pyridinyl)-3-phenylthiourea
CID 782010
1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea
CID 100703128
1-(3-bromo-2-pyridinyl)-3-[2-(3-methoxyphenyl)ethyl]thiourea
CID 19703444
1-(3-chloropyrazin-2-yl)-3-[2-(2-methylphenyl)ethyl]thiourea
CID 19703624

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea (CID 19703669) is 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea is Cc1cccnc1NC(=S)NCCc1ccc2ccccc2c1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea?
The InChIKey is KTGXTSMTKJATIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-14-5-4-11-20-18(14)22-19(23)21-12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-9,11,13H,10,12H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea?
1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea has a molecular weight of 321.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea is sourced from PubChem (CID 19703669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).