1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea

C18H17N3S — CID 3003559

IUPAC1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
SMILESC[C@H](NC(=S)Nc1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C18H17N3S/c1-13(20-18(22)21-17-11-4-5-12-19-17)15-10-6-8-14-7-2-3-9-16(14)15/h2-13H,1H3,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyFUDRPEQTTNPICJ-ZDUSSCGKSA-N
MW307.42 g/mol
LogP4.28
Rot. Bonds3

About 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea

1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea (PubChem CID 3003559) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
PubChem CID3003559
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
SMILESC[C@H](NC(=S)Nc1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C18H17N3S/c1-13(20-18(22)21-17-11-4-5-12-19-17)15-10-6-8-14-7-2-3-9-16(14)15/h2-13H,1H3,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyFUDRPEQTTNPICJ-ZDUSSCGKSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.28
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-(4-methylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8657829
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
1-(2,3-dimethylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657853
1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657834
(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 10754955
1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724805
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724859
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100744494

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea?
The IUPAC name of 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea (CID 3003559) is 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea is C[C@H](NC(=S)Nc1ccccn1)c1cccc2ccccc12.
What is the InChIKey of 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea?
The InChIKey is FUDRPEQTTNPICJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3S/c1-13(20-18(22)21-17-11-4-5-12-19-17)15-10-6-8-14-7-2-3-9-16(14)15/h2-13H,1H3,(H2,19,20,21,22)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea?
1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea has a molecular weight of 307.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea is sourced from PubChem (CID 3003559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).