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

C15H15BrN4O2S — CID 55352793

IUPACN-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1Br)c1csc(N2CCOCC2)n1
InChIInChI=1S/C15H15BrN4O2S/c16-12-4-2-1-3-11(12)9-17-19-14(21)13-10-23-15(18-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,19,21)/b17-9+
InChIKeyNSZXANHJBVDCQD-RQZCQDPDSA-N
MW395.28 g/mol
LogP2.51
Rot. Bonds4

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

N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 55352793) has the molecular formula C15H15BrN4O2S and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID55352793
Molecular FormulaC15H15BrN4O2S
Molecular Weight395.28 g/mol
Exact Mass394.01
IUPAC NameN-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1Br)c1csc(N2CCOCC2)n1
InChIInChI=1S/C15H15BrN4O2S/c16-12-4-2-1-3-11(12)9-17-19-14(21)13-10-23-15(18-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,19,21)/b17-9+
InChIKeyNSZXANHJBVDCQD-RQZCQDPDSA-N
XLogP2.51
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.51
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)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 55352710
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 9155450
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide
CID 71903261
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17498202
2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
CID 55616625
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
CID 842250

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (CID 55352793) is N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is O=C(N/N=C/c1ccccc1Br)c1csc(N2CCOCC2)n1.
What is the InChIKey of N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NSZXANHJBVDCQD-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15BrN4O2S/c16-12-4-2-1-3-11(12)9-17-19-14(21)13-10-23-15(18-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,19,21)/b17-9+.
What are the key properties of N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 395.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55352793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).