1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea

C18H21ClN4O2S — CID 50830288

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1ccnc(N2CCSCC2)c1
InChIInChI=1S/C18H21ClN4O2S/c1-25-16-3-2-14(19)11-15(16)22-18(24)21-12-13-4-5-20-17(10-13)23-6-8-26-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H2,21,22,24)
InChIKeyFHIKGOZRTIRVLD-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.62
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 50830288) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID50830288
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1ccnc(N2CCSCC2)c1
InChIInChI=1S/C18H21ClN4O2S/c1-25-16-3-2-14(19)11-15(16)22-18(24)21-12-13-4-5-20-17(10-13)23-6-8-26-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H2,21,22,24)
InChIKeyFHIKGOZRTIRVLD-UHFFFAOYSA-N
XLogP3.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830146
1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967706
1-(5-chloro-2-methoxyphenyl)-3-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]urea
CID 146080453
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790148
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
1-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 138046592
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275539
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea (CID 50830288) is 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea is COc1ccc(Cl)cc1NC(=O)NCc1ccnc(N2CCSCC2)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is FHIKGOZRTIRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-25-16-3-2-14(19)11-15(16)22-18(24)21-12-13-4-5-20-17(10-13)23-6-8-26-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H2,21,22,24).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 392.91 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 50830288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).