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

C18H18N4OS — CID 44774897

IUPAC5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cn1
InChIInChI=1S/C18H18N4OS/c1-12-10-21-15(11-20-12)18(23)19-9-8-16-22-17(13(2)24-16)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,23)
InChIKeyIJMBMAUYEMNFTR-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.19
Rot. Bonds5

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

5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 44774897) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
PubChem CID44774897
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cn1
InChIInChI=1S/C18H18N4OS/c1-12-10-21-15(11-20-12)18(23)19-9-8-16-22-17(13(2)24-16)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,23)
InChIKeyIJMBMAUYEMNFTR-UHFFFAOYSA-N
XLogP3.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
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3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide (CID 44774897) is 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cn1.
What is the InChIKey of 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is IJMBMAUYEMNFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-10-21-15(11-20-12)18(23)19-9-8-16-22-17(13(2)24-16)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,23).
What are the key properties of 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide?
5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 44774897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).