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

C17H20F3N3O2S — CID 45489282

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1csc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H20F3N3O2S/c1-4-23(10-9-22(2)3)16(24)14-11-26-15(21-14)12-5-7-13(8-6-12)25-17(18,19)20/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRQWBWYJVHDKQRM-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.73
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 45489282) has the molecular formula C17H20F3N3O2S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID45489282
Molecular FormulaC17H20F3N3O2S
Molecular Weight387.43 g/mol
Exact Mass387.12
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1csc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H20F3N3O2S/c1-4-23(10-9-22(2)3)16(24)14-11-26-15(21-14)12-5-7-13(8-6-12)25-17(18,19)20/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRQWBWYJVHDKQRM-UHFFFAOYSA-N
XLogP3.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 4554836
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 155755003
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155755073
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
2-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole-4-carboxamide
CID 11187635

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 45489282) is N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is CCN(CCN(C)C)C(=O)c1csc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RQWBWYJVHDKQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2S/c1-4-23(10-9-22(2)3)16(24)14-11-26-15(21-14)12-5-7-13(8-6-12)25-17(18,19)20/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45489282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).