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

C12H14F3N5OS — CID 71808018

IUPAC4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5OS/c1-2-3-8-10(22-19-17-8)11(21)16-5-7-20-6-4-9(18-20)12(13,14)15/h4,6H,2-3,5,7H2,1H3,(H,16,21)
InChIKeyWVRWNRMAKJJTBQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.14
Rot. Bonds6

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

4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide (PubChem CID 71808018) has the molecular formula C12H14F3N5OS and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
PubChem CID71808018
Molecular FormulaC12H14F3N5OS
Molecular Weight333.34 g/mol
Exact Mass333.09
IUPAC Name4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5OS/c1-2-3-8-10(22-19-17-8)11(21)16-5-7-20-6-4-9(18-20)12(13,14)15/h4,6H,2-3,5,7H2,1H3,(H,16,21)
InChIKeyWVRWNRMAKJJTBQ-UHFFFAOYSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide (CID 71808018) is 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The InChIKey is WVRWNRMAKJJTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5OS/c1-2-3-8-10(22-19-17-8)11(21)16-5-7-20-6-4-9(18-20)12(13,14)15/h4,6H,2-3,5,7H2,1H3,(H,16,21).
What are the key properties of 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71808018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).