1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea

C19H21F2N3OS — CID 100749554

IUPAC1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
SMILESFc1cccc(F)c1NC(=S)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H21F2N3OS/c20-16-6-3-7-17(21)18(16)23-19(26)22-12-14-4-1-2-5-15(14)13-24-8-10-25-11-9-24/h1-7H,8-13H2,(H2,22,23,26)
InChIKeyPIRSIINYSYRJMY-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.28
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea

1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea (PubChem CID 100749554) has the molecular formula C19H21F2N3OS and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
PubChem CID100749554
Molecular FormulaC19H21F2N3OS
Molecular Weight377.46 g/mol
Exact Mass377.14
IUPAC Name1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
SMILESFc1cccc(F)c1NC(=S)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H21F2N3OS/c20-16-6-3-7-17(21)18(16)23-19(26)22-12-14-4-1-2-5-15(14)13-24-8-10-25-11-9-24/h1-7H,8-13H2,(H2,22,23,26)
InChIKeyPIRSIINYSYRJMY-UHFFFAOYSA-N
XLogP3.28
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.28
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-(4-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 8599945
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
1-(3-chloro-4-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 100749481
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100749616
N-[(2-fluorophenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809807
2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile
CID 8569009
1-[(4-fluorophenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea
CID 8562911
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
ethyl 3-methyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamothioylamino]benzoate
CID 100749611

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea (CID 100749554) is 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea is Fc1cccc(F)c1NC(=S)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea?
The InChIKey is PIRSIINYSYRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3OS/c20-16-6-3-7-17(21)18(16)23-19(26)22-12-14-4-1-2-5-15(14)13-24-8-10-25-11-9-24/h1-7H,8-13H2,(H2,22,23,26).
What are the key properties of 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea?
1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea has a molecular weight of 377.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea is sourced from PubChem (CID 100749554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).