N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide

C18H17N3O2S — CID 900711

IUPACN-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C18H17N3O2S/c22-17(18-20-15-3-1-2-4-16(15)24-18)19-13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,22)
InChIKeyMIYNQPQPPSLFMP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.39
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide

N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 900711) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide
PubChem CID900711
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C18H17N3O2S/c22-17(18-20-15-3-1-2-4-16(15)24-18)19-13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,22)
InChIKeyMIYNQPQPPSLFMP-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide
CID 91716
2-(6-Aminobenzothiazol-2-ylthio)-1-morpholin-4-ylethan-1-one
CID 728689
3-((2-Benzothiazolylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453437
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(morpholin-4-yl)ethanone
CID 660098
3-(1,3-Benzothiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2095566
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-2-(cyclohexylamino)ethanone
CID 10339207
1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)azetidin-1-yl]-2-(cyclohexylamino)ethanone
CID 44395476
2-(4-Benzothiazol-2-yl-piperidin-1-yl)-N-thiophen-2-ylmethyl-acetamide
CID 646459
2-(Benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 648089
Ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-piperazinecarboxylate
CID 900713
N-(propan-2-yl)-1,3-benzothiazole-2-carboxamide
CID 972324

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide (CID 900711) is N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is MIYNQPQPPSLFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(18-20-15-3-1-2-4-16(15)24-18)19-13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 900711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).