(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C9H14N4OS — CID 97009426

IUPAC(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(N2CCC[C@@H](C(N)=O)C2)s1
InChIInChI=1S/C9H14N4OS/c1-6-11-12-9(15-6)13-4-2-3-7(5-13)8(10)14/h7H,2-5H2,1H3,(H2,10,14)/t7-/m1/s1
InChIKeyUVIXLWJBJBOCHE-SSDOTTSWSA-N
MW226.30 g/mol
LogP0.55
Rot. Bonds2

About (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 97009426) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID97009426
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(N2CCC[C@@H](C(N)=O)C2)s1
InChIInChI=1S/C9H14N4OS/c1-6-11-12-9(15-6)13-4-2-3-7(5-13)8(10)14/h7H,2-5H2,1H3,(H2,10,14)/t7-/m1/s1
InChIKeyUVIXLWJBJBOCHE-SSDOTTSWSA-N
XLogP0.55
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434746
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
1-(5-amino-1,3,4-thiadiazol-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 154565221
N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide
CID 172893524
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 172900683
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 97009426) is (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1nnc(N2CCC[C@@H](C(N)=O)C2)s1.
What is the InChIKey of (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is UVIXLWJBJBOCHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-11-12-9(15-6)13-4-2-3-7(5-13)8(10)14/h7H,2-5H2,1H3,(H2,10,14)/t7-/m1/s1.
What are the key properties of (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97009426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).