N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C17H19F2N3O3S2 — CID 49432488

IUPACN-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C17H19F2N3O3S2/c1-11-15(26-10-20-11)16(23)21-12-6-8-22(9-7-12)13-2-4-14(5-3-13)27(24,25)17(18)19/h2-5,10,12,17H,6-9H2,1H3,(H,21,23)
InChIKeyMOKHZADUCIGPLQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.85
Rot. Bonds5

About N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49432488) has the molecular formula C17H19F2N3O3S2 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49432488
Molecular FormulaC17H19F2N3O3S2
Molecular Weight415.49 g/mol
Exact Mass415.08
IUPAC NameN-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C17H19F2N3O3S2/c1-11-15(26-10-20-11)16(23)21-12-6-8-22(9-7-12)13-2-4-14(5-3-13)27(24,25)17(18)19/h2-5,10,12,17H,6-9H2,1H3,(H,21,23)
InChIKeyMOKHZADUCIGPLQ-UHFFFAOYSA-N
XLogP2.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 49460558
N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
CID 133287695
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921499
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 47054198
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60607390
2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172901974
2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 133293489

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49432488) is N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MOKHZADUCIGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S2/c1-11-15(26-10-20-11)16(23)21-12-6-8-22(9-7-12)13-2-4-14(5-3-13)27(24,25)17(18)19/h2-5,10,12,17H,6-9H2,1H3,(H,21,23).
What are the key properties of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49432488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).