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

C13H22N4OS — CID 103821976

IUPAC3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(C)CCCNC2)s1
InChIInChI=1S/C13H22N4OS/c1-9(2)7-10-16-17-12(19-10)15-11(18)13(3)5-4-6-14-8-13/h9,14H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyFUUIYUYVJBEHMF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.06
Rot. Bonds4

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

3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 103821976) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID103821976
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2(C)CCCNC2)s1
InChIInChI=1S/C13H22N4OS/c1-9(2)7-10-16-17-12(19-10)15-11(18)13(3)5-4-6-14-8-13/h9,14H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyFUUIYUYVJBEHMF-UHFFFAOYSA-N
XLogP2.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 103821976) is 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CC(C)Cc1nnc(NC(=O)C2(C)CCCNC2)s1.
What is the InChIKey of 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is FUUIYUYVJBEHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)7-10-16-17-12(19-10)15-11(18)13(3)5-4-6-14-8-13/h9,14H,4-8H2,1-3H3,(H,15,17,18).
What are the key properties of 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 103821976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).