1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea

C18H19FN2S — CID 8017324

IUPAC1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H19FN2S/c1-13-6-2-5-9-17(13)20-18(22)21(15-10-11-15)12-14-7-3-4-8-16(14)19/h2-9,15H,10-12H2,1H3,(H,20,22)
InChIKeyBZLNSYPBFCDVJV-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.50
Rot. Bonds4

About 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea

1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea (PubChem CID 8017324) has the molecular formula C18H19FN2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea
PubChem CID8017324
Molecular FormulaC18H19FN2S
Molecular Weight314.43 g/mol
Exact Mass314.13
IUPAC Name1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H19FN2S/c1-13-6-2-5-9-17(13)20-18(22)21(15-10-11-15)12-14-7-3-4-8-16(14)19/h2-9,15H,10-12H2,1H3,(H,20,22)
InChIKeyBZLNSYPBFCDVJV-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.50
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-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-propan-2-ylphenyl)thiourea
CID 17376955
1-cyclopentyl-1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17132989
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(4-phenylphenyl)thiourea
CID 3478591
1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)thiourea
CID 6498869
1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea
CID 23931956
3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea
CID 19935101
ethyl 2-[[cyclohexyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetate
CID 4184898
1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(2-methylphenyl)thiourea
CID 8681117
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
3-(2,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
CID 3454817
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea (CID 8017324) is 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea?
The InChIKey is BZLNSYPBFCDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2S/c1-13-6-2-5-9-17(13)20-18(22)21(15-10-11-15)12-14-7-3-4-8-16(14)19/h2-9,15H,10-12H2,1H3,(H,20,22).
What are the key properties of 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea?
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea has a molecular weight of 314.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8017324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).