3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea

C15H20N2OS — CID 970405

IUPAC3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H20N2OS/c1-5-9-17(10-6-2)15(19)16-13-11-12(3)7-8-14(13)18-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,19)
InChIKeyGSTOPAAHVDDUIX-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.37
Rot. Bonds6

About 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea

3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea (PubChem CID 970405) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea
PubChem CID970405
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H20N2OS/c1-5-9-17(10-6-2)15(19)16-13-11-12(3)7-8-14(13)18-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,19)
InChIKeyGSTOPAAHVDDUIX-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.37
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

3-(4-methoxyphenyl)-1,1-bis(prop-2-enyl)thiourea
CID 2362157
1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea
CID 5216398
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 5099180
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide
CID 17370960
2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
CID 60679323
1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4519202
methyl 3-(2-methoxy-5-methylanilino)but-2-enoate
CID 156769346
1-butyl-3-(2-methoxy-5-methylphenyl)thiourea
CID 8627468
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea (CID 970405) is 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea is C=CCN(CC=C)C(=S)Nc1cc(C)ccc1OC.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea?
The InChIKey is GSTOPAAHVDDUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-5-9-17(10-6-2)15(19)16-13-11-12(3)7-8-14(13)18-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,19).
What are the key properties of 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea?
3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea has a molecular weight of 276.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-1,1-bis(prop-2-enyl)thiourea is sourced from PubChem (CID 970405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).