1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea

C19H22N2S — CID 14893622

IUPAC1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
SMILESCC(C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1
InChIInChI=1S/C19H22N2S/c1-15(17-12-13-17)21(14-16-8-4-2-5-9-16)19(22)20-18-10-6-3-7-11-18/h2-11,15,17H,12-14H2,1H3,(H,20,22)
InChIKeyYFBGSSUAQFXIQK-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.68
Rot. Bonds5

About 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea

1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea (PubChem CID 14893622) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
PubChem CID14893622
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
SMILESCC(C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1
InChIInChI=1S/C19H22N2S/c1-15(17-12-13-17)21(14-16-8-4-2-5-9-16)19(22)20-18-10-6-3-7-11-18/h2-11,15,17H,12-14H2,1H3,(H,20,22)
InChIKeyYFBGSSUAQFXIQK-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea
CID 7944237
1-benzyl-3-(3-chloro-2-methylphenyl)-1-[(1S)-1-cyclopropylethyl]thiourea
CID 8747442
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
1-butan-2-yl-1-[(4-chlorophenyl)methyl]-3-phenylthiourea
CID 13018270
1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea
CID 560931
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
1-benzyl-1-ethyl-3-phenylthiourea
CID 3561753

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea?
The IUPAC name of 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea (CID 14893622) is 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea.
What is the SMILES notation for 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea?
The canonical SMILES for 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea is CC(C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1.
What is the InChIKey of 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea?
The InChIKey is YFBGSSUAQFXIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-15(17-12-13-17)21(14-16-8-4-2-5-9-16)19(22)20-18-10-6-3-7-11-18/h2-11,15,17H,12-14H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea?
1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea has a molecular weight of 310.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea is sourced from PubChem (CID 14893622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).