2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide

C21H20F3N3O4S — CID 172559973

IUPAC2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2cccc(OC(F)(F)F)c2)cc1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C21H20F3N3O4S/c1-13-17(10-18(30-13)14-3-2-4-16(9-14)31-21(22,23)24)19(28)26-20-25-15(12-32-20)11-27-5-7-29-8-6-27/h2-4,9-10,12H,5-8,11H2,1H3,(H,25,26,28)
InChIKeyUAANHKXADMCLGN-UHFFFAOYSA-N
MW467.47 g/mol
LogP4.69
Rot. Bonds6

About 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide

2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide (PubChem CID 172559973) has the molecular formula C21H20F3N3O4S and a molecular weight of 467.47 g/mol. Its IUPAC name is 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
PubChem CID172559973
Molecular FormulaC21H20F3N3O4S
Molecular Weight467.47 g/mol
Exact Mass467.11
IUPAC Name2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
SMILESCc1oc(-c2cccc(OC(F)(F)F)c2)cc1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C21H20F3N3O4S/c1-13-17(10-18(30-13)14-3-2-4-16(9-14)31-21(22,23)24)19(28)26-20-25-15(12-32-20)11-27-5-7-29-8-6-27/h2-4,9-10,12H,5-8,11H2,1H3,(H,25,26,28)
InChIKeyUAANHKXADMCLGN-UHFFFAOYSA-N
XLogP4.69
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559940
N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559960
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 44553756
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
CID 175165096
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547700
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-4-carboxamide
CID 46175716
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017
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-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44540670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide (CID 172559973) is 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide is Cc1oc(-c2cccc(OC(F)(F)F)c2)cc1C(=O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
The InChIKey is UAANHKXADMCLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4S/c1-13-17(10-18(30-13)14-3-2-4-16(9-14)31-21(22,23)24)19(28)26-20-25-15(12-32-20)11-27-5-7-29-8-6-27/h2-4,9-10,12H,5-8,11H2,1H3,(H,25,26,28).
What are the key properties of 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide has a molecular weight of 467.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide is sourced from PubChem (CID 172559973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).