5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

C18H20N4O2S — CID 91912220

IUPAC5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)cn1
InChIInChI=1S/C18H20N4O2S/c1-11-8-20-16(9-19-11)17(23)21-13-6-14-2-3-15(7-13)22(14)18(24)12-4-5-25-10-12/h4-5,8-10,13-15H,2-3,6-7H2,1H3,(H,21,23)/t13?,14-,15+
InChIKeyVBFBLPRSLHZPPZ-GOOCMWNKSA-N
MW356.45 g/mol
LogP2.41
Rot. Bonds3

About 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (PubChem CID 91912220) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
PubChem CID91912220
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)cn1
InChIInChI=1S/C18H20N4O2S/c1-11-8-20-16(9-19-11)17(23)21-13-6-14-2-3-15(7-13)22(14)18(24)12-4-5-25-10-12/h4-5,8-10,13-15H,2-3,6-7H2,1H3,(H,21,23)/t13?,14-,15+
InChIKeyVBFBLPRSLHZPPZ-GOOCMWNKSA-N
XLogP2.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (CID 91912220) is 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)cn1.
What is the InChIKey of 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The InChIKey is VBFBLPRSLHZPPZ-GOOCMWNKSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-8-20-16(9-19-11)17(23)21-13-6-14-2-3-15(7-13)22(14)18(24)12-4-5-25-10-12/h4-5,8-10,13-15H,2-3,6-7H2,1H3,(H,21,23)/t13?,14-,15+.
What are the key properties of 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S,5R)-8-(thiophene-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91912220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).