1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea

C17H22N8O5S2 — CID 24574552

IUPAC1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C17H22N8O5S2/c26-13(11-9-31-16(18-11)24-1-5-29-6-2-24)20-22-15(28)23-21-14(27)12-10-32-17(19-12)25-3-7-30-8-4-25/h9-10H,1-8H2,(H,20,26)(H,21,27)(H2,22,23,28)
InChIKeyBEYXJIGWVDFNMA-UHFFFAOYSA-N
MW482.55 g/mol
LogP-0.44
Rot. Bonds4

About 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea

1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea (PubChem CID 24574552) has the molecular formula C17H22N8O5S2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
PubChem CID24574552
Molecular FormulaC17H22N8O5S2
Molecular Weight482.55 g/mol
Exact Mass482.12
IUPAC Name1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C17H22N8O5S2/c26-13(11-9-31-16(18-11)24-1-5-29-6-2-24)20-22-15(28)23-21-14(27)12-10-32-17(19-12)25-3-7-30-8-4-25/h9-10H,1-8H2,(H,20,26)(H,21,27)(H2,22,23,28)
InChIKeyBEYXJIGWVDFNMA-UHFFFAOYSA-N
XLogP-0.44
TPSA150.05 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46471739
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea
CID 41429984
N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120599
1-[(1S,2R)-2-methylcyclohexyl]-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 8768628
2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18155737
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The IUPAC name of 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea (CID 24574552) is 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea.
What is the SMILES notation for 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The canonical SMILES for 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea is O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The InChIKey is BEYXJIGWVDFNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O5S2/c26-13(11-9-31-16(18-11)24-1-5-29-6-2-24)20-22-15(28)23-21-14(27)12-10-32-17(19-12)25-3-7-30-8-4-25/h9-10H,1-8H2,(H,20,26)(H,21,27)(H2,22,23,28).
What are the key properties of 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea has a molecular weight of 482.55 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea is sourced from PubChem (CID 24574552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).