[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea

C14H19N3O4S — CID 169358575

IUPAC[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
SMILESCOc1cc(NC(N)=S)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O4S/c1-19-12-8-10(16-14(15)22)2-3-11(12)21-9-13(18)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H3,15,16,22)
InChIKeyUKMCEJWKGUSTEK-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.59
Rot. Bonds5

About [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea

[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea (PubChem CID 169358575) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea.

Molecular Properties

Compound Name[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
PubChem CID169358575
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
SMILESCOc1cc(NC(N)=S)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O4S/c1-19-12-8-10(16-14(15)22)2-3-11(12)21-9-13(18)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H3,15,16,22)
InChIKeyUKMCEJWKGUSTEK-UHFFFAOYSA-N
XLogP0.59
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide
CID 16762834
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 168639306
3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 16579252
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine
CID 168604379
2-[2-methoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 9059552
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4832339
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 4876101

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea?
The IUPAC name of [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea (CID 169358575) is [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea.
What is the SMILES notation for [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea?
The canonical SMILES for [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea is COc1cc(NC(N)=S)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea?
The InChIKey is UKMCEJWKGUSTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-19-12-8-10(16-14(15)22)2-3-11(12)21-9-13(18)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H3,15,16,22).
What are the key properties of [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea?
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea has a molecular weight of 325.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea is sourced from PubChem (CID 169358575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).