1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea

C19H24N2O2S — CID 100667952

IUPAC1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea
SMILESCOc1cc(CNC(=S)Nc2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C19H24N2O2S/c1-13(2)23-17-10-7-15(11-18(17)22-4)12-20-19(24)21-16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H2,20,21,24)
InChIKeyNLYZNOAOWDVWGY-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.28
Rot. Bonds6

About 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea

1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea (PubChem CID 100667952) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea
PubChem CID100667952
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea
SMILESCOc1cc(CNC(=S)Nc2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C19H24N2O2S/c1-13(2)23-17-10-7-15(11-18(17)22-4)12-20-19(24)21-16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H2,20,21,24)
InChIKeyNLYZNOAOWDVWGY-UHFFFAOYSA-N
XLogP4.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylthiourea
CID 100668845
1-(4-ethoxyphenyl)-3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]thiourea
CID 100668153
1-(3-chloro-4-methylphenyl)-3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]thiourea
CID 100668268
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100668764
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)thiourea
CID 3659335
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100747955
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
CID 43742604
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 3836543
1-[(4-methoxyphenyl)methyl]-3-[4-(4-methylphenoxy)phenyl]thiourea
CID 18290006
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8786139

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea (CID 100667952) is 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea is COc1cc(CNC(=S)Nc2ccc(C)cc2)ccc1OC(C)C.
What is the InChIKey of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea?
The InChIKey is NLYZNOAOWDVWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13(2)23-17-10-7-15(11-18(17)22-4)12-20-19(24)21-16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea?
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 100667952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).