(3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C12H20N4OS — CID 99778604

IUPAC(3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)c1nnc(N2C[C@@H](C(N)=O)CC[C@@H]2C)s1
InChIInChI=1S/C12H20N4OS/c1-7(2)11-14-15-12(18-11)16-6-9(10(13)17)5-4-8(16)3/h7-9H,4-6H2,1-3H3,(H2,13,17)/t8-,9-/m0/s1
InChIKeyUDGXDHDZWISYJX-IUCAKERBSA-N
MW268.39 g/mol
LogP1.75
Rot. Bonds3

About (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 99778604) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID99778604
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name(3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)c1nnc(N2C[C@@H](C(N)=O)CC[C@@H]2C)s1
InChIInChI=1S/C12H20N4OS/c1-7(2)11-14-15-12(18-11)16-6-9(10(13)17)5-4-8(16)3/h7-9H,4-6H2,1-3H3,(H2,13,17)/t8-,9-/m0/s1
InChIKeyUDGXDHDZWISYJX-IUCAKERBSA-N
XLogP1.75
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 99778604) is (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CC(C)c1nnc(N2C[C@@H](C(N)=O)CC[C@@H]2C)s1.
What is the InChIKey of (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is UDGXDHDZWISYJX-IUCAKERBSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-7(2)11-14-15-12(18-11)16-6-9(10(13)17)5-4-8(16)3/h7-9H,4-6H2,1-3H3,(H2,13,17)/t8-,9-/m0/s1.
What are the key properties of (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 99778604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).