1-(4-anilinophenyl)-3-morpholin-4-ylthiourea

C17H20N4OS — CID 942782

IUPAC1-(4-anilinophenyl)-3-morpholin-4-ylthiourea
SMILESS=C(Nc1ccc(Nc2ccccc2)cc1)NN1CCOCC1
InChIInChI=1S/C17H20N4OS/c23-17(20-21-10-12-22-13-11-21)19-16-8-6-15(7-9-16)18-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H2,19,20,23)
InChIKeyBTAPFTLAHVLGGY-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea

1-(4-anilinophenyl)-3-morpholin-4-ylthiourea (PubChem CID 942782) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-morpholin-4-ylthiourea
PubChem CID942782
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-(4-anilinophenyl)-3-morpholin-4-ylthiourea
SMILESS=C(Nc1ccc(Nc2ccccc2)cc1)NN1CCOCC1
InChIInChI=1S/C17H20N4OS/c23-17(20-21-10-12-22-13-11-21)19-16-8-6-15(7-9-16)18-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H2,19,20,23)
InChIKeyBTAPFTLAHVLGGY-UHFFFAOYSA-N
XLogP2.96
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N1-[4-(2,6-dimethylmorpholino)phenyl]-2-(2-cyanoethyl)hydrazine-1-carbothioamide
CID 2824632
2-(4-morpholinylacetyl)-N-phenylhydrazinecarbothioamide
CID 954334
1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea
CID 2388700
N,N-dimethyl-N'-(4-morpholinophenyl)thiourea
CID 2731347
N,N'-di[4-(2,6-dimethylmorpholino)phenyl]thiourea
CID 2824630
1-(4-Anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 2196890
1-(3,5-Difluorophenyl)-3-morpholin-4-ylthiourea
CID 2991484
4-{4-[1,4-Oxazinan-4-ylamino(thioxo)methylamino]phenylsulfonamido}-1-benzenesulfonamide
CID 44401769
4-[4-(2,6-Dimethyl-morpholin4-yl)-phenyl]-3-thiosemicarbazide
CID 2824631
1-[2-(Morpholin-4-yl)ethyl]-3-[4-(phenylamino)phenyl]thiourea
CID 1298848
1-(4-Butylphenyl)-3-morpholin-4-ylthiourea
CID 2192679
1-(2-Methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 2388269

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea (CID 942782) is 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea is S=C(Nc1ccc(Nc2ccccc2)cc1)NN1CCOCC1.
What is the InChIKey of 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea?
The InChIKey is BTAPFTLAHVLGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c23-17(20-21-10-12-22-13-11-21)19-16-8-6-15(7-9-16)18-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H2,19,20,23).
What are the key properties of 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea?
1-(4-anilinophenyl)-3-morpholin-4-ylthiourea has a molecular weight of 328.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 942782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).