N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide

C12H11F3N4OS — CID 71983792

IUPACN,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C12H11F3N4OS/c1-7-3-17-8(4-16-7)11(20)19(2)5-10-18-9(6-21-10)12(13,14)15/h3-4,6H,5H2,1-2H3
InChIKeyJYEZJUYTMGTVOY-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.53
Rot. Bonds3

About N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide

N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 71983792) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID71983792
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC NameN,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C12H11F3N4OS/c1-7-3-17-8(4-16-7)11(20)19(2)5-10-18-9(6-21-10)12(13,14)15/h3-4,6H,5H2,1-2H3
InChIKeyJYEZJUYTMGTVOY-UHFFFAOYSA-N
XLogP2.53
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide (CID 71983792) is N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cn1.
What is the InChIKey of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is JYEZJUYTMGTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c1-7-3-17-8(4-16-7)11(20)19(2)5-10-18-9(6-21-10)12(13,14)15/h3-4,6H,5H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide?
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71983792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).