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

C18H14N6O2S — CID 121022288

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C18H14N6O2S/c25-17(13-1-3-16(4-2-13)26-18-20-9-10-27-18)21-11-14-12-24(23-22-14)15-5-7-19-8-6-15/h1-10,12H,11H2,(H,21,25)
InChIKeyYGDVOIKAMPMVFW-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.84
Rot. Bonds6

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

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 121022288) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
PubChem CID121022288
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C18H14N6O2S/c25-17(13-1-3-16(4-2-13)26-18-20-9-10-27-18)21-11-14-12-24(23-22-14)15-5-7-19-8-6-15/h1-10,12H,11H2,(H,21,25)
InChIKeyYGDVOIKAMPMVFW-UHFFFAOYSA-N
XLogP2.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide (CID 121022288) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide is O=C(NCc1cn(-c2ccncc2)nn1)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
The InChIKey is YGDVOIKAMPMVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c25-17(13-1-3-16(4-2-13)26-18-20-9-10-27-18)21-11-14-12-24(23-22-14)15-5-7-19-8-6-15/h1-10,12H,11H2,(H,21,25).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide has a molecular weight of 378.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 121022288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).