4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

C12H17F3N4OS — CID 71992773

IUPAC4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H17F3N4OS/c1-7(2)8-3-5-19(6-4-8)11(20)16-10-18-17-9(21-10)12(13,14)15/h7-8H,3-6H2,1-2H3,(H,16,18,20)
InChIKeySVHMAUYCFCZQHE-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.46
Rot. Bonds2

About 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 71992773) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID71992773
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H17F3N4OS/c1-7(2)8-3-5-19(6-4-8)11(20)16-10-18-17-9(21-10)12(13,14)15/h7-8H,3-6H2,1-2H3,(H,16,18,20)
InChIKeySVHMAUYCFCZQHE-UHFFFAOYSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 71992773) is 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is CC(C)C1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is SVHMAUYCFCZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-7(2)8-3-5-19(6-4-8)11(20)16-10-18-17-9(21-10)12(13,14)15/h7-8H,3-6H2,1-2H3,(H,16,18,20).
What are the key properties of 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71992773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).