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

C15H16ClN5O3S — CID 46672798

IUPAC1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN5O3S/c16-10-2-1-3-11(8-10)17-14(23)20-19-13(22)12-9-25-15(18-12)21-4-6-24-7-5-21/h1-3,8-9H,4-7H2,(H,19,22)(H2,17,20,23)
InChIKeyCTUCVSZGOWNXAI-UHFFFAOYSA-N
MW381.85 g/mol
LogP2.10
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea (PubChem CID 46672798) has the molecular formula C15H16ClN5O3S and a molecular weight of 381.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
PubChem CID46672798
Molecular FormulaC15H16ClN5O3S
Molecular Weight381.85 g/mol
Exact Mass381.07
IUPAC Name1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN5O3S/c16-10-2-1-3-11(8-10)17-14(23)20-19-13(22)12-9-25-15(18-12)21-4-6-24-7-5-21/h1-3,8-9H,4-7H2,(H,19,22)(H2,17,20,23)
InChIKeyCTUCVSZGOWNXAI-UHFFFAOYSA-N
XLogP2.10
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
2,4-dichloro-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553645
1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea
CID 41429984
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 168786207
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
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
N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120599
N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 16599836

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea (CID 46672798) is 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea is O=C(NNC(=O)c1csc(N2CCOCC2)n1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The InChIKey is CTUCVSZGOWNXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O3S/c16-10-2-1-3-11(8-10)17-14(23)20-19-13(22)12-9-25-15(18-12)21-4-6-24-7-5-21/h1-3,8-9H,4-7H2,(H,19,22)(H2,17,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea has a molecular weight of 381.85 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea is sourced from PubChem (CID 46672798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).