3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate

C24H20N6O4S2 — CID 158312689

IUPAC3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
SMILESNc1cccn(-c2nccs2)c1=O.O=C(Nc1cccn(-c2nccs2)c1=O)OCc1ccccc1
InChIInChI=1S/C16H13N3O3S.C8H7N3OS/c20-14-13(7-4-9-19(14)15-17-8-10-23-15)18-16(21)22-11-12-5-2-1-3-6-12;9-6-2-1-4-11(7(6)12)8-10-3-5-13-8/h1-10H,11H2,(H,18,21);1-5H,9H2
InChIKeyGNWHDHOAVCNYQZ-UHFFFAOYSA-N
MW520.60 g/mol
LogP3.92
Rot. Bonds5

About 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate

3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate (PubChem CID 158312689) has the molecular formula C24H20N6O4S2 and a molecular weight of 520.60 g/mol. Its IUPAC name is 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
PubChem CID158312689
Molecular FormulaC24H20N6O4S2
Molecular Weight520.60 g/mol
Exact Mass520.10
IUPAC Name3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
SMILESNc1cccn(-c2nccs2)c1=O.O=C(Nc1cccn(-c2nccs2)c1=O)OCc1ccccc1
InChIInChI=1S/C16H13N3O3S.C8H7N3OS/c20-14-13(7-4-9-19(14)15-17-8-10-23-15)18-16(21)22-11-12-5-2-1-3-6-12;9-6-2-1-4-11(7(6)12)8-10-3-5-13-8/h1-10H,11H2,(H,18,21);1-5H,9H2
InChIKeyGNWHDHOAVCNYQZ-UHFFFAOYSA-N
XLogP3.92
TPSA134.13 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate (CID 158312689) is 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate is Nc1cccn(-c2nccs2)c1=O.O=C(Nc1cccn(-c2nccs2)c1=O)OCc1ccccc1.
What is the InChIKey of 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
The InChIKey is GNWHDHOAVCNYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S.C8H7N3OS/c20-14-13(7-4-9-19(14)15-17-8-10-23-15)18-16(21)22-11-12-5-2-1-3-6-12;9-6-2-1-4-11(7(6)12)8-10-3-5-13-8/h1-10H,11H2,(H,18,21);1-5H,9H2.
What are the key properties of 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate?
3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate has a molecular weight of 520.60 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 158312689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).