1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea

C20H25N3OS — CID 8564027

IUPAC1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
SMILESCc1ccccc1NC(=S)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H25N3OS/c1-16-7-5-6-10-18(16)21-20(25)22-19(17-8-3-2-4-9-17)15-23-11-13-24-14-12-23/h2-10,19H,11-15H2,1H3,(H2,21,22,25)/t19-/m1/s1
InChIKeyJWSPCWRXMKDJRD-LJQANCHMSA-N
MW355.51 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea

1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea (PubChem CID 8564027) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
PubChem CID8564027
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
SMILESCc1ccccc1NC(=S)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H25N3OS/c1-16-7-5-6-10-18(16)21-20(25)22-19(17-8-3-2-4-9-17)15-23-11-13-24-14-12-23/h2-10,19H,11-15H2,1H3,(H2,21,22,25)/t19-/m1/s1
InChIKeyJWSPCWRXMKDJRD-LJQANCHMSA-N
XLogP3.35
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564078
1-(2,5-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564086
1-(2,5-dimethylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564089
1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564030
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8563544
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
6-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 102553631
1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8563489
1-benzhydryl-3-(2-methylphenyl)thiourea
CID 8615084
2-[[1-(2-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-phenylethanol
CID 146081346
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea (CID 8564027) is 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea is Cc1ccccc1NC(=S)N[C@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
The InChIKey is JWSPCWRXMKDJRD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-16-7-5-6-10-18(16)21-20(25)22-19(17-8-3-2-4-9-17)15-23-11-13-24-14-12-23/h2-10,19H,11-15H2,1H3,(H2,21,22,25)/t19-/m1/s1.
What are the key properties of 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea has a molecular weight of 355.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea is sourced from PubChem (CID 8564027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).