1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea

C14H22N2OS — CID 9097975

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea
SMILESCCCNC(=S)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H22N2OS/c1-5-8-15-14(18)16(3)10-12-9-11(2)6-7-13(12)17-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,18)
InChIKeyYYZRIDKGNCIXEM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.72
Rot. Bonds5

About 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea

1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea (PubChem CID 9097975) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea
PubChem CID9097975
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea
SMILESCCCNC(=S)N(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H22N2OS/c1-5-8-15-14(18)16(3)10-12-9-11(2)6-7-13(12)17-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,18)
InChIKeyYYZRIDKGNCIXEM-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(dimethylamino)propyl]-1-[(2-methoxy-5-methylphenyl)methyl]-1-methylthiourea
CID 9098018
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea
CID 7944898
1-[(5-chloro-2-methoxyphenyl)methyl]-3-ethyl-1-methylthiourea
CID 8565165
1-methyl-1-[(2-methylphenyl)methyl]-3-propylthiourea
CID 115570910
2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8805837
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 9098010
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
3-benzyl-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylthiourea
CID 9054007
1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
CID 8682696

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea (CID 9097975) is 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea is CCCNC(=S)N(C)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea?
The InChIKey is YYZRIDKGNCIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-8-15-14(18)16(3)10-12-9-11(2)6-7-13(12)17-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,18).
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea?
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea has a molecular weight of 266.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea is sourced from PubChem (CID 9097975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).