1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea

C18H22N4OS — CID 100625898

IUPAC1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
SMILESCc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)nc1
InChIInChI=1S/C18H22N4OS/c1-14-2-7-17(19-12-14)21-18(24)20-13-15-3-5-16(6-4-15)22-8-10-23-11-9-22/h2-7,12H,8-11,13H2,1H3,(H2,19,20,21,24)
InChIKeyQFVRBZJIBWZMIY-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.71
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea

1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea (PubChem CID 100625898) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
PubChem CID100625898
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
SMILESCc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)nc1
InChIInChI=1S/C18H22N4OS/c1-14-2-7-17(19-12-14)21-18(24)20-13-15-3-5-16(6-4-15)22-8-10-23-11-9-22/h2-7,12H,8-11,13H2,1H3,(H2,19,20,21,24)
InChIKeyQFVRBZJIBWZMIY-UHFFFAOYSA-N
XLogP2.71
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 94494667
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 22831253
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide
CID 55549139
1-[(4-methylphenyl)methyl]-3-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100783087
1-(4-bromo-2-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 100625305
1-[(4-methylphenyl)methyl]-3-(4-morpholin-4-yl-6-pyrimidin-2-ylsulfanylpyrimidin-2-yl)thiourea
CID 100782752
1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 167814480
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
1-(5-methyl-2-pyridinyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]thiourea
CID 100711943
1-(3,5-dimethylphenyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 8600037
1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
CID 154754832

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea (CID 100625898) is 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea is Cc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The InChIKey is QFVRBZJIBWZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-14-2-7-17(19-12-14)21-18(24)20-13-15-3-5-16(6-4-15)22-8-10-23-11-9-22/h2-7,12H,8-11,13H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea?
1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea has a molecular weight of 342.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea is sourced from PubChem (CID 100625898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).