2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone

C16H15ClF3N3O2S — CID 59802440

IUPAC2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1)N1CCOCC1
InChIInChI=1S/C16H15ClF3N3O2S/c17-13-2-1-10(7-12(13)16(18,19)20)21-15-22-11(9-26-15)8-14(24)23-3-5-25-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,22)
InChIKeyVNGQMYVIGOKNDW-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.96
Rot. Bonds4

About 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone

2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone (PubChem CID 59802440) has the molecular formula C16H15ClF3N3O2S and a molecular weight of 405.83 g/mol. Its IUPAC name is 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
PubChem CID59802440
Molecular FormulaC16H15ClF3N3O2S
Molecular Weight405.83 g/mol
Exact Mass405.05
IUPAC Name2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1)N1CCOCC1
InChIInChI=1S/C16H15ClF3N3O2S/c17-13-2-1-10(7-12(13)16(18,19)20)21-15-22-11(9-26-15)8-14(24)23-3-5-25-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,22)
InChIKeyVNGQMYVIGOKNDW-UHFFFAOYSA-N
XLogP3.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59802435
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide
CID 89390536
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 87545409
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 4222905
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
CID 30941985
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940520
2-[4-chloro-N-[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]-3-(trifluoromethyl)anilino]-2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 87750032
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940900

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone (CID 59802440) is 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone is O=C(Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1)N1CCOCC1.
What is the InChIKey of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is VNGQMYVIGOKNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2S/c17-13-2-1-10(7-12(13)16(18,19)20)21-15-22-11(9-26-15)8-14(24)23-3-5-25-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,22).
What are the key properties of 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 405.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 59802440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).