1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea

C17H20N2OS — CID 9284034

IUPAC1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20N2OS/c1-4-9-18-17(21)19(2)12-13-5-6-15-11-16(20-3)8-7-14(15)10-13/h4-8,10-11H,1,9,12H2,2-3H3,(H,18,21)
InChIKeyUBFVNWLYPDZXJV-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.34
Rot. Bonds5

About 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea

1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea (PubChem CID 9284034) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea
PubChem CID9284034
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20N2OS/c1-4-9-18-17(21)19(2)12-13-5-6-15-11-16(20-3)8-7-14(15)10-13/h4-8,10-11H,1,9,12H2,2-3H3,(H,18,21)
InChIKeyUBFVNWLYPDZXJV-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-methoxynaphthalen-2-yl)methyl]-3-(3-methoxyphenyl)-1-methylthiourea
CID 8600127
1-[(4-methoxyphenyl)methyl]-1-methyl-3-propylthiourea
CID 113218431
3-ethyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 8768028
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
3-(2-chloro-5-nitrophenyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylthiourea
CID 9284049
1-[(3-methoxyphenyl)methyl]-1,3-dimethylthiourea
CID 7944505
1-(5-methoxy-2-methylphenyl)-3-prop-2-enylthiourea
CID 4124759
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-1-methylthiourea
CID 8770326

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea (CID 9284034) is 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea is C=CCNC(=S)N(C)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea?
The InChIKey is UBFVNWLYPDZXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-9-18-17(21)19(2)12-13-5-6-15-11-16(20-3)8-7-14(15)10-13/h4-8,10-11H,1,9,12H2,2-3H3,(H,18,21).
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea?
1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea has a molecular weight of 300.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-prop-2-enylthiourea is sourced from PubChem (CID 9284034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).