1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C10H12F3N3OS — CID 55143815

IUPAC1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)6-15-1-3-16(4-2-15)9(17)8-5-18-7-14-8/h5,7H,1-4,6H2
InChIKeyZZLGOUJXVNZACB-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.46
Rot. Bonds2

About 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 55143815) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID55143815
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)6-15-1-3-16(4-2-15)9(17)8-5-18-7-14-8/h5,7H,1-4,6H2
InChIKeyZZLGOUJXVNZACB-UHFFFAOYSA-N
XLogP1.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Ethylpiperazin-1-yl)-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168282839
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
(s)-(N-(3-trifluoroacetyl))-2-(1-acetamidoethyl) thiazole-4-carboxamide
CID 168059171
N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 63022016
(2,2-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone
CID 71854770
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 71858990
(2S)-2-methyl-1-(1,3-thiazole-4-carbonyl)piperazine
CID 82705199
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95905650
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 97051833
N-tert-butyl-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 100677218
[2-(Difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 121565148
2-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 121577427

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 55143815) is 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1cscn1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is ZZLGOUJXVNZACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)6-15-1-3-16(4-2-15)9(17)8-5-18-7-14-8/h5,7H,1-4,6H2.
What are the key properties of 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 279.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55143815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).