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

C10H13F3N4OS — CID 55116397

IUPAC(2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)6-16-1-3-17(4-2-16)8(18)7-5-19-9(14)15-7/h5H,1-4,6H2,(H2,14,15)
InChIKeyOVNOQRPCAKWGGD-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.05
Rot. Bonds2

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

(2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 55116397) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID55116397
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)6-16-1-3-17(4-2-16)8(18)7-5-19-9(14)15-7/h5H,1-4,6H2,(H2,14,15)
InChIKeyOVNOQRPCAKWGGD-UHFFFAOYSA-N
XLogP1.05
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 55116397) is (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Nc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is OVNOQRPCAKWGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)6-16-1-3-17(4-2-16)8(18)7-5-19-9(14)15-7/h5H,1-4,6H2,(H2,14,15).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 294.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55116397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).