N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide

C19H14ClF3N2OS — CID 7518338

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2OS/c20-15-6-4-12(5-7-15)18-25-16(11-27-18)8-9-24-17(26)13-2-1-3-14(10-13)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,26)
InChIKeyUMQRQFICZMYFKR-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.45
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 7518338) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID7518338
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2OS/c20-15-6-4-12(5-7-15)18-25-16(11-27-18)8-9-24-17(26)13-2-1-3-14(10-13)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,26)
InChIKeyUMQRQFICZMYFKR-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 35573590
N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515765
3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162654564
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
CID 7163676
2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7163678
N'-(5-chloro-2-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]oxamide
CID 26843117
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7216589

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide (CID 7518338) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UMQRQFICZMYFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c20-15-6-4-12(5-7-15)18-25-16(11-27-18)8-9-24-17(26)13-2-1-3-14(10-13)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,26).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 410.85 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 7518338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).