N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

C15H14F2N4O2S — CID 55352710

IUPACN-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N/N=C/c1ccc(F)c(F)c1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C15H14F2N4O2S/c16-11-2-1-10(7-12(11)17)8-18-20-14(22)13-9-24-15(19-13)21-3-5-23-6-4-21/h1-2,7-9H,3-6H2,(H,20,22)/b18-8+
InChIKeyPODDEOBEHAOENM-QGMBQPNBSA-N
MW352.37 g/mol
LogP2.02
Rot. Bonds4

About N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 55352710) has the molecular formula C15H14F2N4O2S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID55352710
Molecular FormulaC15H14F2N4O2S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N/N=C/c1ccc(F)c(F)c1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C15H14F2N4O2S/c16-11-2-1-10(7-12(11)17)8-18-20-14(22)13-9-24-15(19-13)21-3-5-23-6-4-21/h1-2,7-9H,3-6H2,(H,20,22)/b18-8+
InChIKeyPODDEOBEHAOENM-QGMBQPNBSA-N
XLogP2.02
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 55352793
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 9155450
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 168786207
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide
CID 71903261
5-bromo-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126151566
N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46471739
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (CID 55352710) is N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is O=C(N/N=C/c1ccc(F)c(F)c1)c1csc(N2CCOCC2)n1.
What is the InChIKey of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PODDEOBEHAOENM-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H14F2N4O2S/c16-11-2-1-10(7-12(11)17)8-18-20-14(22)13-9-24-15(19-13)21-3-5-23-6-4-21/h1-2,7-9H,3-6H2,(H,20,22)/b18-8+.
What are the key properties of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55352710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).