5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide

C15H14N4OS2 — CID 92563065

IUPAC5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](Cc2cccs2)c2nccs2)cn1
InChIInChI=1S/C15H14N4OS2/c1-10-8-18-13(9-17-10)14(20)19-12(15-16-4-6-22-15)7-11-3-2-5-21-11/h2-6,8-9,12H,7H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyAQHGRIUCNFMYOZ-GFCCVEGCSA-N
MW330.44 g/mol
LogP3.02
Rot. Bonds5

About 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide

5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide (PubChem CID 92563065) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
PubChem CID92563065
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](Cc2cccs2)c2nccs2)cn1
InChIInChI=1S/C15H14N4OS2/c1-10-8-18-13(9-17-10)14(20)19-12(15-16-4-6-22-15)7-11-3-2-5-21-11/h2-6,8-9,12H,7H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyAQHGRIUCNFMYOZ-GFCCVEGCSA-N
XLogP3.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide (CID 92563065) is 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H](Cc2cccs2)c2nccs2)cn1.
What is the InChIKey of 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The InChIKey is AQHGRIUCNFMYOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-10-8-18-13(9-17-10)14(20)19-12(15-16-4-6-22-15)7-11-3-2-5-21-11/h2-6,8-9,12H,7H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 92563065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).