N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C12H17F3N4O2S — CID 75374620

IUPACN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N4O2S/c1-21-6-9-7-22-10(16-9)17-11(20)19-4-2-18(3-5-19)8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,17,20)
InChIKeyBBDOYJWUXDMGRC-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.00
Rot. Bonds4

About N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 75374620) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID75374620
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N4O2S/c1-21-6-9-7-22-10(16-9)17-11(20)19-4-2-18(3-5-19)8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,17,20)
InChIKeyBBDOYJWUXDMGRC-UHFFFAOYSA-N
XLogP2.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 75374620) is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is COCc1csc(NC(=O)N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is BBDOYJWUXDMGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-21-6-9-7-22-10(16-9)17-11(20)19-4-2-18(3-5-19)8-12(13,14)15/h7H,2-6,8H2,1H3,(H,16,17,20).
What are the key properties of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75374620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).