N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide

C18H19N5OS — CID 76550600

IUPACN-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide
SMILESNC1=NC2(c3cccc(NC(=O)c4cnccn4)c3)CCCC2CS1
InChIInChI=1S/C18H19N5OS/c19-17-23-18(6-2-4-13(18)11-25-17)12-3-1-5-14(9-12)22-16(24)15-10-20-7-8-21-15/h1,3,5,7-10,13H,2,4,6,11H2,(H2,19,23)(H,22,24)
InChIKeyGMDVWSIYKQGDSQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.79
Rot. Bonds3

About N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide

N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 76550600) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide
PubChem CID76550600
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide
SMILESNC1=NC2(c3cccc(NC(=O)c4cnccn4)c3)CCCC2CS1
InChIInChI=1S/C18H19N5OS/c19-17-23-18(6-2-4-13(18)11-25-17)12-3-1-5-14(9-12)22-16(24)15-10-20-7-8-21-15/h1,3,5,7-10,13H,2,4,6,11H2,(H2,19,23)(H,22,24)
InChIKeyGMDVWSIYKQGDSQ-UHFFFAOYSA-N
XLogP2.79
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide (CID 76550600) is N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide is NC1=NC2(c3cccc(NC(=O)c4cnccn4)c3)CCCC2CS1.
What is the InChIKey of N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is GMDVWSIYKQGDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c19-17-23-18(6-2-4-13(18)11-25-17)12-3-1-5-14(9-12)22-16(24)15-10-20-7-8-21-15/h1,3,5,7-10,13H,2,4,6,11H2,(H2,19,23)(H,22,24).
What are the key properties of N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide?
N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 76550600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).