1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one

C16H10ClN5OS — CID 137430218

IUPAC1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one
SMILESNc1cnc(-c2cc(Cl)c3ncsc3c2)c(-n2ccccc2=O)n1
InChIInChI=1S/C16H10ClN5OS/c17-10-5-9(6-11-15(10)20-8-24-11)14-16(21-12(18)7-19-14)22-4-2-1-3-13(22)23/h1-8H,(H2,18,21)
InChIKeyUBFJXDCJHBZHSA-UHFFFAOYSA-N
MW355.81 g/mol
LogP3.14
Rot. Bonds2

About 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one

1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one (PubChem CID 137430218) has the molecular formula C16H10ClN5OS and a molecular weight of 355.81 g/mol. Its IUPAC name is 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one
PubChem CID137430218
Molecular FormulaC16H10ClN5OS
Molecular Weight355.81 g/mol
Exact Mass355.03
IUPAC Name1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one
SMILESNc1cnc(-c2cc(Cl)c3ncsc3c2)c(-n2ccccc2=O)n1
InChIInChI=1S/C16H10ClN5OS/c17-10-5-9(6-11-15(10)20-8-24-11)14-16(21-12(18)7-19-14)22-4-2-1-3-13(22)23/h1-8H,(H2,18,21)
InChIKeyUBFJXDCJHBZHSA-UHFFFAOYSA-N
XLogP3.14
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one?
The IUPAC name of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one (CID 137430218) is 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one?
The canonical SMILES for 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one is Nc1cnc(-c2cc(Cl)c3ncsc3c2)c(-n2ccccc2=O)n1.
What is the InChIKey of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one?
The InChIKey is UBFJXDCJHBZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5OS/c17-10-5-9(6-11-15(10)20-8-24-11)14-16(21-12(18)7-19-14)22-4-2-1-3-13(22)23/h1-8H,(H2,18,21).
What are the key properties of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one?
1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one has a molecular weight of 355.81 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one is sourced from PubChem (CID 137430218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).