N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide

C21H26F2N4O2S — CID 45223545

IUPACN-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C21H26F2N4O2S/c1-4-19(28)26(3)18(11-15-5-6-16(22)12-17(15)23)14-7-9-27(10-8-14)21(29)20-13(2)24-25-30-20/h5-6,12,14,18H,4,7-11H2,1-3H3
InChIKeyQWGCDANBYLFFIT-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide

N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide (PubChem CID 45223545) has the molecular formula C21H26F2N4O2S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
PubChem CID45223545
Molecular FormulaC21H26F2N4O2S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C21H26F2N4O2S/c1-4-19(28)26(3)18(11-15-5-6-16(22)12-17(15)23)14-7-9-27(10-8-14)21(29)20-13(2)24-25-30-20/h5-6,12,14,18H,4,7-11H2,1-3H3
InChIKeyQWGCDANBYLFFIT-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide with MolForge

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Related Compounds

N-[[4-[[(3,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-methylthiadiazole-5-carboxamide
CID 130431461
(4-Benzoylpiperidino)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 2740762
N-benzyl-N-isopropyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2813487
4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide
CID 6916146
N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 6917368
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25189476
4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190406
(4-Methylthiadiazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 24791406
N-(4-fluorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 7293423
[3-(4-Fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiadiazol-5-yl)methanone
CID 16668638
{1-[(4-Methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidin-3-yl}[4-(trifluoromethyl)phenyl]methanone
CID 16191680
N-(4-isopropylphenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
CID 24791734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide (CID 45223545) is N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide is CCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2snnc2C)CC1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The InChIKey is QWGCDANBYLFFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2S/c1-4-19(28)26(3)18(11-15-5-6-16(22)12-17(15)23)14-7-9-27(10-8-14)21(29)20-13(2)24-25-30-20/h5-6,12,14,18H,4,7-11H2,1-3H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide has a molecular weight of 436.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 45223545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).