1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea

C15H22N2OS — CID 715557

IUPAC1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea
SMILESCCCN(CC1CC1)C(=S)Nc1ccccc1OC
InChIInChI=1S/C15H22N2OS/c1-3-10-17(11-12-8-9-12)15(19)16-13-6-4-5-7-14(13)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyVPDWJDMHELKWDS-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.51
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea

1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea (PubChem CID 715557) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea
PubChem CID715557
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea
SMILESCCCN(CC1CC1)C(=S)Nc1ccccc1OC
InChIInChI=1S/C15H22N2OS/c1-3-10-17(11-12-8-9-12)15(19)16-13-6-4-5-7-14(13)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyVPDWJDMHELKWDS-UHFFFAOYSA-N
XLogP3.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.51
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

1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea
CID 3820363
3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
CID 91905721
1,1-dibenzyl-3-(2-methoxyphenyl)thiourea
CID 3583218
1-[(2,3-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40603116
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-naphthalen-1-yl-1,1-dipropylthiourea
CID 19653014
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 61442997
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559572
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea (CID 715557) is 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea is CCCN(CC1CC1)C(=S)Nc1ccccc1OC.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea?
The InChIKey is VPDWJDMHELKWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-10-17(11-12-8-9-12)15(19)16-13-6-4-5-7-14(13)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,16,19).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea?
1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea has a molecular weight of 278.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea is sourced from PubChem (CID 715557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).