N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

C19H24F3N3O2S — CID 59338646

IUPACN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCN(C)CCN(CC)C(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C
InChIInChI=1S/C19H24F3N3O2S/c1-5-24(4)11-12-25(6-2)18(26)16-13(3)23-17(28-16)14-7-9-15(10-8-14)27-19(20,21)22/h7-10H,5-6,11-12H2,1-4H3
InChIKeyDLNQAYBJVSLQFC-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.43
Rot. Bonds8

About N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 59338646) has the molecular formula C19H24F3N3O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID59338646
Molecular FormulaC19H24F3N3O2S
Molecular Weight415.48 g/mol
Exact Mass415.15
IUPAC NameN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCN(C)CCN(CC)C(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C
InChIInChI=1S/C19H24F3N3O2S/c1-5-24(4)11-12-25(6-2)18(26)16-13(3)23-17(28-16)14-7-9-15(10-8-14)27-19(20,21)22/h7-10H,5-6,11-12H2,1-4H3
InChIKeyDLNQAYBJVSLQFC-UHFFFAOYSA-N
XLogP4.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 70831549
2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid
CID 29139622
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 45370467
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
ethyl 2-methyl-2-[4-[[methyl-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoate
CID 10164953
N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 142066180
3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512
2-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200059
1-[4-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 107105066
(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (CID 59338646) is N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is CCN(C)CCN(CC)C(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C.
What is the InChIKey of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DLNQAYBJVSLQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2S/c1-5-24(4)11-12-25(6-2)18(26)16-13(3)23-17(28-16)14-7-9-15(10-8-14)27-19(20,21)22/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).