N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide

C18H18N4O2S — CID 87281943

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide
SMILESCc1nc(CONC(=O)c2ccccc2NCc2ccccn2)cs1
InChIInChI=1S/C18H18N4O2S/c1-13-21-15(12-25-13)11-24-22-18(23)16-7-2-3-8-17(16)20-10-14-6-4-5-9-19-14/h2-9,12,20H,10-11H2,1H3,(H,22,23)
InChIKeyLIUJEVHMEOAYSW-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.32
Rot. Bonds7

About N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide

N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide (PubChem CID 87281943) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide
PubChem CID87281943
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide
SMILESCc1nc(CONC(=O)c2ccccc2NCc2ccccn2)cs1
InChIInChI=1S/C18H18N4O2S/c1-13-21-15(12-25-13)11-24-22-18(23)16-7-2-3-8-17(16)20-10-14-6-4-5-9-19-14/h2-9,12,20H,10-11H2,1H3,(H,22,23)
InChIKeyLIUJEVHMEOAYSW-UHFFFAOYSA-N
XLogP3.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-2-pyridinyl)methylamino]-N-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 87281975
N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(quinolin-4-ylmethylamino)benzamide
CID 58989956
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
ethyl 2-amino-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate
CID 115545348
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
methyl 2-amino-3-(pyridin-2-ylmethylamino)benzoate
CID 115544524
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide (CID 87281943) is N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide is Cc1nc(CONC(=O)c2ccccc2NCc2ccccn2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide?
The InChIKey is LIUJEVHMEOAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-21-15(12-25-13)11-24-22-18(23)16-7-2-3-8-17(16)20-10-14-6-4-5-9-19-14/h2-9,12,20H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide?
N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide has a molecular weight of 354.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethylamino)benzamide is sourced from PubChem (CID 87281943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).