methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate

C12H18N4O2S — CID 97319865

IUPACmethyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](Nc2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H18N4O2S/c1-18-12(17)16-6-2-3-9(7-16)13-11-14-10(15-19-11)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyORTXKDSYNJIJPL-VIFPVBQESA-N
MW282.37 g/mol
LogP2.06
Rot. Bonds3

About methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate

methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 97319865) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID97319865
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Namemethyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](Nc2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H18N4O2S/c1-18-12(17)16-6-2-3-9(7-16)13-11-14-10(15-19-11)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyORTXKDSYNJIJPL-VIFPVBQESA-N
XLogP2.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 97161055
methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate
CID 138007596
N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 138007267
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113251596
cyclopentyl-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 133366768
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 97097853
methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 133275678
methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 156820250

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 97319865) is methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is COC(=O)N1CCC[C@H](Nc2nc(C3CC3)ns2)C1.
What is the InChIKey of methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is ORTXKDSYNJIJPL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-18-12(17)16-6-2-3-9(7-16)13-11-14-10(15-19-11)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 282.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 97319865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).