2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one

C11H18N4OS — CID 113350190

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nnc(NC(C)C(=O)N2CCCCC2)s1
InChIInChI=1S/C11H18N4OS/c1-8(12-11-14-13-9(2)17-11)10(16)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyCPGGJHQKOHKPHY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.66
Rot. Bonds3

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one

2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 113350190) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID113350190
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nnc(NC(C)C(=O)N2CCCCC2)s1
InChIInChI=1S/C11H18N4OS/c1-8(12-11-14-13-9(2)17-11)10(16)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyCPGGJHQKOHKPHY-UHFFFAOYSA-N
XLogP1.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-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

2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 115898996
(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide
CID 131162038
2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113408677
methyl 4-chloro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 115885993
5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625511
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
CID 107077762
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 113350190) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is Cc1nnc(NC(C)C(=O)N2CCCCC2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is CPGGJHQKOHKPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(12-11-14-13-9(2)17-11)10(16)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 254.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113350190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).