N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

C22H20F5N3O2S — CID 172559940

IUPACN-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nc(CN2CCC(F)(F)CC2)cs1
InChIInChI=1S/C22H20F5N3O2S/c1-13-17(10-18(32-13)14-3-2-4-15(9-14)22(25,26)27)19(31)29-20-28-16(12-33-20)11-30-7-5-21(23,24)6-8-30/h2-4,9-10,12H,5-8,11H2,1H3,(H,28,29,31)
InChIKeyUNUWGQOUTQZCNK-UHFFFAOYSA-N
MW485.48 g/mol
LogP6.21
Rot. Bonds5

About N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 172559940) has the molecular formula C22H20F5N3O2S and a molecular weight of 485.48 g/mol. Its IUPAC name is N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID172559940
Molecular FormulaC22H20F5N3O2S
Molecular Weight485.48 g/mol
Exact Mass485.12
IUPAC NameN-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nc(CN2CCC(F)(F)CC2)cs1
InChIInChI=1S/C22H20F5N3O2S/c1-13-17(10-18(32-13)14-3-2-4-15(9-14)22(25,26)27)19(31)29-20-28-16(12-33-20)11-30-7-5-21(23,24)6-8-30/h2-4,9-10,12H,5-8,11H2,1H3,(H,28,29,31)
InChIKeyUNUWGQOUTQZCNK-UHFFFAOYSA-N
XLogP6.21
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.48
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559960
2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
CID 172559973
N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559944
N-[4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559955
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 6484584
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 4898733
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 24586670
1-[5-[[2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carbonyl]amino]-1,2,4-thiadiazol-3-yl]propan-2-yl 4-methylbenzenesulfonate
CID 175169710
3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide
CID 30134890
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-4-carboxamide
CID 46175716
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide
CID 55451656

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 172559940) is N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nc(CN2CCC(F)(F)CC2)cs1.
What is the InChIKey of N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is UNUWGQOUTQZCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N3O2S/c1-13-17(10-18(32-13)14-3-2-4-15(9-14)22(25,26)27)19(31)29-20-28-16(12-33-20)11-30-7-5-21(23,24)6-8-30/h2-4,9-10,12H,5-8,11H2,1H3,(H,28,29,31).
What are the key properties of N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 485.48 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 172559940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).