1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea

C16H20N4O2S — CID 167814480

IUPAC1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)sn1
InChIInChI=1S/C16H20N4O2S/c1-12-10-15(23-19-12)18-16(21)17-11-13-2-4-14(5-3-13)20-6-8-22-9-7-20/h2-5,10H,6-9,11H2,1H3,(H2,17,18,21)
InChIKeyBKPMACSHIYNJRN-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.61
Rot. Bonds4

About 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea

1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea (PubChem CID 167814480) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
PubChem CID167814480
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)sn1
InChIInChI=1S/C16H20N4O2S/c1-12-10-15(23-19-12)18-16(21)17-11-13-2-4-14(5-3-13)20-6-8-22-9-7-20/h2-5,10H,6-9,11H2,1H3,(H2,17,18,21)
InChIKeyBKPMACSHIYNJRN-UHFFFAOYSA-N
XLogP2.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833
1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 75417030
1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86830758
1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55744650
1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 100625898
3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide
CID 166205855
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea (CID 167814480) is 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea is Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)sn1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is BKPMACSHIYNJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-10-15(23-19-12)18-16(21)17-11-13-2-4-14(5-3-13)20-6-8-22-9-7-20/h2-5,10H,6-9,11H2,1H3,(H2,17,18,21).
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 332.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 167814480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).