2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C13H22N4OS — CID 29132499

IUPAC2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCC[C@@H](C)C2)s1
InChIInChI=1S/C13H22N4OS/c1-9(2)12-15-16-13(19-12)14-11(18)8-17-6-4-5-10(3)7-17/h9-10H,4-8H2,1-3H3,(H,14,16,18)/t10-/m1/s1
InChIKeyRZMGFXAGPXNIBJ-SNVBAGLBSA-N
MW282.41 g/mol
LogP2.33
Rot. Bonds4

About 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 29132499) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID29132499
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCC[C@@H](C)C2)s1
InChIInChI=1S/C13H22N4OS/c1-9(2)12-15-16-13(19-12)14-11(18)8-17-6-4-5-10(3)7-17/h9-10H,4-8H2,1-3H3,(H,14,16,18)/t10-/m1/s1
InChIKeyRZMGFXAGPXNIBJ-SNVBAGLBSA-N
XLogP2.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682066
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 41312748
2-(cyclopropylmethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119695516
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43081339
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47336466
methyl 5-carbamoyl-4-methyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 27519205

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 29132499) is 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CN2CCC[C@@H](C)C2)s1.
What is the InChIKey of 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RZMGFXAGPXNIBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)12-15-16-13(19-12)14-11(18)8-17-6-4-5-10(3)7-17/h9-10H,4-8H2,1-3H3,(H,14,16,18)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 29132499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).