5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide

C14H15N7OS — CID 167961251

IUPAC5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide
SMILESCC(C)c1nnc(Cn2cc(-c3cncc(C(N)=O)c3)nn2)s1
InChIInChI=1S/C14H15N7OS/c1-8(2)14-19-18-12(23-14)7-21-6-11(17-20-21)9-3-10(13(15)22)5-16-4-9/h3-6,8H,7H2,1-2H3,(H2,15,22)
InChIKeyAAKDKRZCIFQRKS-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.46
Rot. Bonds5

About 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide

5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide (PubChem CID 167961251) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide
PubChem CID167961251
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide
SMILESCC(C)c1nnc(Cn2cc(-c3cncc(C(N)=O)c3)nn2)s1
InChIInChI=1S/C14H15N7OS/c1-8(2)14-19-18-12(23-14)7-21-6-11(17-20-21)9-3-10(13(15)22)5-16-4-9/h3-6,8H,7H2,1-2H3,(H2,15,22)
InChIKeyAAKDKRZCIFQRKS-UHFFFAOYSA-N
XLogP1.46
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide (CID 167961251) is 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide is CC(C)c1nnc(Cn2cc(-c3cncc(C(N)=O)c3)nn2)s1.
What is the InChIKey of 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide?
The InChIKey is AAKDKRZCIFQRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-8(2)14-19-18-12(23-14)7-21-6-11(17-20-21)9-3-10(13(15)22)5-16-4-9/h3-6,8H,7H2,1-2H3,(H2,15,22).
What are the key properties of 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide?
5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167961251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).