1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea

C13H20N2O3S — CID 115570487

IUPAC1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3S/c1-9(8-16-2)14-13(19)15-10-5-11(17-3)7-12(6-10)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,19)
InChIKeyYUWNZXGWEJBZNZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.03
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea

1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 115570487) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
PubChem CID115570487
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3S/c1-9(8-16-2)14-13(19)15-10-5-11(17-3)7-12(6-10)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,19)
InChIKeyYUWNZXGWEJBZNZ-UHFFFAOYSA-N
XLogP2.03
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-pentan-3-ylthiourea
CID 19652898
1-(3,5-dimethylphenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 133196938
1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 47514994
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
CID 100579625
1-(4-bromo-3-methylphenyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 8900458
1-(1-methoxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 115570489
1-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9086970
1-(3-methoxyphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045491
1-(1-methoxypropan-2-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]thiourea
CID 115576135
1-(1-methoxypropan-2-yl)-3-(4-methylsulfonylphenyl)thiourea
CID 116507292
1-(3,4-dimethoxyphenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579748
1-(4-methoxyphenyl)-3-[(2R)-1-(4-methylphenoxy)propan-2-yl]thiourea
CID 100707948

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea (CID 115570487) is 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea is COCC(C)NC(=S)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is YUWNZXGWEJBZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(8-16-2)14-13(19)15-10-5-11(17-3)7-12(6-10)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,19).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea?
1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 284.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 115570487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).