4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide

C14H15N7OS — CID 121022269

IUPAC4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C14H15N7OS/c1-2-3-12-13(23-20-18-12)14(22)16-8-10-9-21(19-17-10)11-4-6-15-7-5-11/h4-7,9H,2-3,8H2,1H3,(H,16,22)
InChIKeyINGSURAOYBALFJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.40
Rot. Bonds6

About 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide

4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 121022269) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID121022269
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C14H15N7OS/c1-2-3-12-13(23-20-18-12)14(22)16-8-10-9-21(19-17-10)11-4-6-15-7-5-11/h4-7,9H,2-3,8H2,1H3,(H,16,22)
InChIKeyINGSURAOYBALFJ-UHFFFAOYSA-N
XLogP1.40
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 121022269) is 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1cn(-c2ccncc2)nn1.
What is the InChIKey of 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is INGSURAOYBALFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-2-3-12-13(23-20-18-12)14(22)16-8-10-9-21(19-17-10)11-4-6-15-7-5-11/h4-7,9H,2-3,8H2,1H3,(H,16,22).
What are the key properties of 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide?
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 121022269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).