3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea

C19H22Cl2N4OS — CID 17371072

IUPAC3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESS=C(Nc1cccc(Cl)c1Cl)N(CCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C19H22Cl2N4OS/c20-16-4-1-5-17(18(16)21)23-19(27)25(14-15-3-2-6-22-13-15)8-7-24-9-11-26-12-10-24/h1-6,13H,7-12,14H2,(H,23,27)
InChIKeyNHWXDZUWVOQRGB-UHFFFAOYSA-N
MW425.39 g/mol
LogP3.92
Rot. Bonds6

About 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea

3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea (PubChem CID 17371072) has the molecular formula C19H22Cl2N4OS and a molecular weight of 425.39 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
PubChem CID17371072
Molecular FormulaC19H22Cl2N4OS
Molecular Weight425.39 g/mol
Exact Mass424.09
IUPAC Name3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESS=C(Nc1cccc(Cl)c1Cl)N(CCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C19H22Cl2N4OS/c20-16-4-1-5-17(18(16)21)23-19(27)25(14-15-3-2-6-22-13-15)8-7-24-9-11-26-12-10-24/h1-6,13H,7-12,14H2,(H,23,27)
InChIKeyNHWXDZUWVOQRGB-UHFFFAOYSA-N
XLogP3.92
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4548471
3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4319541
3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 17371007
1-benzyl-1-(3-morpholin-4-ylpropyl)-3-pyridin-3-ylthiourea
CID 17370493
3-(2-chloro-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 5169082
3-(3-chloro-2-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3259345
3-(2-chlorophenyl)-1-[(3-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 17379399
1-[(3-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 3628977
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
3-(2,5-dichlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17370454
1-[(2-chlorophenyl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4089369
3-(2-chloro-6-methylphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3545236

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea (CID 17371072) is 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea is S=C(Nc1cccc(Cl)c1Cl)N(CCN1CCOCC1)Cc1cccnc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea?
The InChIKey is NHWXDZUWVOQRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4OS/c20-16-4-1-5-17(18(16)21)23-19(27)25(14-15-3-2-6-22-13-15)8-7-24-9-11-26-12-10-24/h1-6,13H,7-12,14H2,(H,23,27).
What are the key properties of 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea?
3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea has a molecular weight of 425.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea is sourced from PubChem (CID 17371072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).