5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

C20H18F3N3O4S2 — CID 173062956

IUPAC5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccsc1Cc1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O
InChIInChI=1S/C20H18F3N3O4S2/c1-11-6-7-31-14(11)8-15-18(19(24)28)26-17(32-15)9-25-16(27)10-29-12-2-4-13(5-3-12)30-20(21,22)23/h2-7H,8-10H2,1H3,(H2,24,28)(H,25,27)
InChIKeyVIWZSUBIOSWZFV-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.80
Rot. Bonds9

About 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 173062956) has the molecular formula C20H18F3N3O4S2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID173062956
Molecular FormulaC20H18F3N3O4S2
Molecular Weight485.51 g/mol
Exact Mass485.07
IUPAC Name5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccsc1Cc1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O
InChIInChI=1S/C20H18F3N3O4S2/c1-11-6-7-31-14(11)8-15-18(19(24)28)26-17(32-15)9-25-16(27)10-29-12-2-4-13(5-3-12)30-20(21,22)23/h2-7H,8-10H2,1H3,(H2,24,28)(H,25,27)
InChIKeyVIWZSUBIOSWZFV-UHFFFAOYSA-N
XLogP3.80
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062397
5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062272
5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173136924
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120882
5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 173062314
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 110645408
N-[[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 91036015
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 56782751
N-[(3,5-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120876

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 173062956) is 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is Cc1ccsc1Cc1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O.
What is the InChIKey of 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VIWZSUBIOSWZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S2/c1-11-6-7-31-14(11)8-15-18(19(24)28)26-17(32-15)9-25-16(27)10-29-12-2-4-13(5-3-12)30-20(21,22)23/h2-7H,8-10H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173062956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).