2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide

C17H16N4O2S — CID 11739316

IUPAC2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NOCc1cscn1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C17H16N4O2S/c22-17(21-23-10-14-11-24-12-20-14)15-3-1-2-4-16(15)19-9-13-5-7-18-8-6-13/h1-8,11-12,19H,9-10H2,(H,21,22)
InChIKeyPZZQJFLXZRANKU-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.01
Rot. Bonds7

About 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide

2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 11739316) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID11739316
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NOCc1cscn1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C17H16N4O2S/c22-17(21-23-10-14-11-24-12-20-14)15-3-1-2-4-16(15)19-9-13-5-7-18-8-6-13/h1-8,11-12,19H,9-10H2,(H,21,22)
InChIKeyPZZQJFLXZRANKU-UHFFFAOYSA-N
XLogP3.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.01
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

N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281910
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281754

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide (CID 11739316) is 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NOCc1cscn1)c1ccccc1NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is PZZQJFLXZRANKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-17(21-23-10-14-11-24-12-20-14)15-3-1-2-4-16(15)19-9-13-5-7-18-8-6-13/h1-8,11-12,19H,9-10H2,(H,21,22).
What are the key properties of 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide?
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 340.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 11739316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).