(3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide

C15H23F3N4O2S — CID 97334592

IUPAC(3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H23F3N4O2S/c1-10-7-22(6-5-21(10)8-11(2)23)14(24)19-4-3-13-20-12(9-25-13)15(16,17)18/h9-11,23H,3-8H2,1-2H3,(H,19,24)/t10-,11-/m1/s1
InChIKeyMZTKQQBUQHMNQL-GHMZBOCLSA-N
MW380.44 g/mol
LogP1.80
Rot. Bonds5

About (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide

(3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide (PubChem CID 97334592) has the molecular formula C15H23F3N4O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide
PubChem CID97334592
Molecular FormulaC15H23F3N4O2S
Molecular Weight380.44 g/mol
Exact Mass380.15
IUPAC Name(3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H23F3N4O2S/c1-10-7-22(6-5-21(10)8-11(2)23)14(24)19-4-3-13-20-12(9-25-13)15(16,17)18/h9-11,23H,3-8H2,1-2H3,(H,19,24)/t10-,11-/m1/s1
InChIKeyMZTKQQBUQHMNQL-GHMZBOCLSA-N
XLogP1.80
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide (CID 97334592) is (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide is C[C@@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)CCN1C[C@@H](C)O.
What is the InChIKey of (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is MZTKQQBUQHMNQL-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H23F3N4O2S/c1-10-7-22(6-5-21(10)8-11(2)23)14(24)19-4-3-13-20-12(9-25-13)15(16,17)18/h9-11,23H,3-8H2,1-2H3,(H,19,24)/t10-,11-/m1/s1.
What are the key properties of (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
(3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 97334592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).