1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea

C15H18N2OS — CID 19385775

IUPAC1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea
SMILESCNC(=S)NCCc1cccc2ccc(OC)cc12
InChIInChI=1S/C15H18N2OS/c1-16-15(19)17-9-8-12-5-3-4-11-6-7-13(18-2)10-14(11)12/h3-7,10H,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyWWOWZEWWGVWZFW-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea

1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea (PubChem CID 19385775) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea
PubChem CID19385775
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea
SMILESCNC(=S)NCCc1cccc2ccc(OC)cc12
InChIInChI=1S/C15H18N2OS/c1-16-15(19)17-9-8-12-5-3-4-11-6-7-13(18-2)10-14(11)12/h3-7,10H,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyWWOWZEWWGVWZFW-UHFFFAOYSA-N
XLogP2.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.48
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

2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopropanecarbothioamide
CID 19086085
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 71521838
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopentanecarboxamide
CID 19086062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea?
The IUPAC name of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea (CID 19385775) is 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea.
What is the SMILES notation for 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea?
The canonical SMILES for 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea is CNC(=S)NCCc1cccc2ccc(OC)cc12.
What is the InChIKey of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea?
The InChIKey is WWOWZEWWGVWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-16-15(19)17-9-8-12-5-3-4-11-6-7-13(18-2)10-14(11)12/h3-7,10H,8-9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea?
1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea has a molecular weight of 274.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea is sourced from PubChem (CID 19385775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).