[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

C13H19F3N4S — CID 63916439

IUPAC[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCN(CC(F)(F)F)CC2)nc1C1CC1
InChIInChI=1S/C13H19F3N4S/c14-13(15,16)8-19-3-5-20(6-4-19)12-18-11(9-1-2-9)10(7-17)21-12/h9H,1-8,17H2
InChIKeyGRMCPBRPVOUPRI-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.16
Rot. Bonds4

About [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 63916439) has the molecular formula C13H19F3N4S and a molecular weight of 320.38 g/mol. Its IUPAC name is [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID63916439
Molecular FormulaC13H19F3N4S
Molecular Weight320.38 g/mol
Exact Mass320.13
IUPAC Name[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCN(CC(F)(F)F)CC2)nc1C1CC1
InChIInChI=1S/C13H19F3N4S/c14-13(15,16)8-19-3-5-20(6-4-19)12-18-11(9-1-2-9)10(7-17)21-12/h9H,1-8,17H2
InChIKeyGRMCPBRPVOUPRI-UHFFFAOYSA-N
XLogP2.16
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (CID 63916439) is [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is NCc1sc(N2CCN(CC(F)(F)F)CC2)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is GRMCPBRPVOUPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4S/c14-13(15,16)8-19-3-5-20(6-4-19)12-18-11(9-1-2-9)10(7-17)21-12/h9H,1-8,17H2.
What are the key properties of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 320.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63916439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).