4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide

C14H16N6OS2 — CID 71802223

IUPAC4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C14H16N6OS2/c1-2-4-11-12(23-19-18-11)13(21)15-7-5-10-9-22-14(17-10)20-8-3-6-16-20/h3,6,8-9H,2,4-5,7H2,1H3,(H,15,21)
InChIKeyCIKDBMBFNUNQJE-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.11
Rot. Bonds7

About 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide

4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 71802223) has the molecular formula C14H16N6OS2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID71802223
Molecular FormulaC14H16N6OS2
Molecular Weight348.46 g/mol
Exact Mass348.08
IUPAC Name4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C14H16N6OS2/c1-2-4-11-12(23-19-18-11)13(21)15-7-5-10-9-22-14(17-10)20-8-3-6-16-20/h3,6,8-9H,2,4-5,7H2,1H3,(H,15,21)
InChIKeyCIKDBMBFNUNQJE-UHFFFAOYSA-N
XLogP2.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide (CID 71802223) is 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is CIKDBMBFNUNQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS2/c1-2-4-11-12(23-19-18-11)13(21)15-7-5-10-9-22-14(17-10)20-8-3-6-16-20/h3,6,8-9H,2,4-5,7H2,1H3,(H,15,21).
What are the key properties of 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71802223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).