[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine

C11H12F3N5O2S2 — CID 167202605

IUPAC[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)cs1
InChIInChI=1S/C11H12F3N5O2S2/c12-11(13,14)23(20,21)19-2-1-18-4-7(16-9(18)5-19)8-6-22-10(3-15)17-8/h4,6H,1-3,5,15H2
InChIKeyWOBOCMAAUWZOOQ-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.13
Rot. Bonds3

About [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine

[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 167202605) has the molecular formula C11H12F3N5O2S2 and a molecular weight of 367.38 g/mol. Its IUPAC name is [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID167202605
Molecular FormulaC11H12F3N5O2S2
Molecular Weight367.38 g/mol
Exact Mass367.04
IUPAC Name[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)cs1
InChIInChI=1S/C11H12F3N5O2S2/c12-11(13,14)23(20,21)19-2-1-18-4-7(16-9(18)5-19)8-6-22-10(3-15)17-8/h4,6H,1-3,5,15H2
InChIKeyWOBOCMAAUWZOOQ-UHFFFAOYSA-N
XLogP1.13
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine (CID 167202605) is [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2cn3c(n2)CN(S(=O)(=O)C(F)(F)F)CC3)cs1.
What is the InChIKey of [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is WOBOCMAAUWZOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2S2/c12-11(13,14)23(20,21)19-2-1-18-4-7(16-9(18)5-19)8-6-22-10(3-15)17-8/h4,6H,1-3,5,15H2.
What are the key properties of [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine?
[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 367.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 167202605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).