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

C14H24N4OS — CID 97221836

IUPAC1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one
SMILESCC(C)c1nsc(NCCC(=O)N2CCCC[C@H]2C)n1
InChIInChI=1S/C14H24N4OS/c1-10(2)13-16-14(20-17-13)15-8-7-12(19)18-9-5-4-6-11(18)3/h10-11H,4-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1
InChIKeyZDLOSTJRYMWJPT-LLVKDONJSA-N
MW296.44 g/mol
LogP2.86
Rot. Bonds5

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

1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one (PubChem CID 97221836) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one
PubChem CID97221836
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one
SMILESCC(C)c1nsc(NCCC(=O)N2CCCC[C@H]2C)n1
InChIInChI=1S/C14H24N4OS/c1-10(2)13-16-14(20-17-13)15-8-7-12(19)18-9-5-4-6-11(18)3/h10-11H,4-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1
InChIKeyZDLOSTJRYMWJPT-LLVKDONJSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide
CID 95271447
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
CID 941330
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 99851423
methyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026079
2-methyl-1-(3-methylbutan-2-yl)-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111001860
(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95295293
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95906195

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one?
The IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one (CID 97221836) is 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one?
The canonical SMILES for 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one is CC(C)c1nsc(NCCC(=O)N2CCCC[C@H]2C)n1.
What is the InChIKey of 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one?
The InChIKey is ZDLOSTJRYMWJPT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(2)13-16-14(20-17-13)15-8-7-12(19)18-9-5-4-6-11(18)3/h10-11H,4-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one?
1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one is sourced from PubChem (CID 97221836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).