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

C11H15F3N4OS — CID 66375560

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNCc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)7-17-1-3-18(4-2-17)10(19)8-6-20-9(5-15)16-8/h6H,1-5,7,15H2
InChIKeyUBUTUJIKMYWQDE-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.92
Rot. Bonds3

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

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 66375560) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID66375560
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNCc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)7-17-1-3-18(4-2-17)10(19)8-6-20-9(5-15)16-8/h6H,1-5,7,15H2
InChIKeyUBUTUJIKMYWQDE-UHFFFAOYSA-N
XLogP0.92
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
(4-Ethylpiperazin-1-yl)-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168282839
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 85879992
2-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide
CID 52317008
(2S)-2-methyl-1-(1,3-thiazole-4-carbonyl)piperazine
CID 82705199
2-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 121577427
(3,3-Difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130685234
2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 138010562
(4-Tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 58395051
N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63038078
Piperazin-1-yl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
CID 67629568

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 66375560) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is NCc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is UBUTUJIKMYWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c12-11(13,14)7-17-1-3-18(4-2-17)10(19)8-6-20-9(5-15)16-8/h6H,1-5,7,15H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 308.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66375560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).