N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

C18H14N6O2S — CID 87018846

IUPACN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C18H14N6O2S/c25-17(22-18-21-16(23-24-18)15-6-1-2-7-19-15)12-4-3-5-14(8-12)26-9-13-10-27-11-20-13/h1-8,10-11H,9H2,(H2,21,22,23,24,25)
InChIKeySHJIZXQSFUTKMC-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.15
Rot. Bonds6

About N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 87018846) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID87018846
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C18H14N6O2S/c25-17(22-18-21-16(23-24-18)15-6-1-2-7-19-15)12-4-3-5-14(8-12)26-9-13-10-27-11-20-13/h1-8,10-11H,9H2,(H2,21,22,23,24,25)
InChIKeySHJIZXQSFUTKMC-UHFFFAOYSA-N
XLogP3.15
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide with MolForge

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Related Compounds

N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 86912306
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286247
N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 47057844
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 87018846) is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is SHJIZXQSFUTKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c25-17(22-18-21-16(23-24-18)15-6-1-2-7-19-15)12-4-3-5-14(8-12)26-9-13-10-27-11-20-13/h1-8,10-11H,9H2,(H2,21,22,23,24,25).
What are the key properties of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 378.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 87018846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).