1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea

C17H23N3S — CID 8724859

IUPAC1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@H](NC(=S)NCCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H23N3S/c1-13(19-17(21)18-11-12-20(2)3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13H,11-12H2,1-3H3,(H2,18,19,21)/t13-/m0/s1
InChIKeyIEEJICXRPSKOTH-ZDUSSCGKSA-N
MW301.46 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea

1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 8724859) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
PubChem CID8724859
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@H](NC(=S)NCCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H23N3S/c1-13(19-17(21)18-11-12-20(2)3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13H,11-12H2,1-3H3,(H2,18,19,21)/t13-/m0/s1
InChIKeyIEEJICXRPSKOTH-ZDUSSCGKSA-N
XLogP2.93
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.93
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-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313
1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724817
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-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
CID 3003559
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
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724805
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea (CID 8724859) is 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea is C[C@H](NC(=S)NCCN(C)C)c1cccc2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is IEEJICXRPSKOTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(19-17(21)18-11-12-20(2)3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13H,11-12H2,1-3H3,(H2,18,19,21)/t13-/m0/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea?
1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 301.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 8724859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).