ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one

C12H17N3OS — CID 142523302

IUPACethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC.CNc1cccn(-c2ncc(C)s2)c1=O
InChIInChI=1S/C10H11N3OS.C2H6/c1-7-6-12-10(15-7)13-5-3-4-8(11-2)9(13)14;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyPNXZCVMUGMBSFN-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.67
Rot. Bonds2

About ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one

ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 142523302) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Nameethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
PubChem CID142523302
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Nameethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC.CNc1cccn(-c2ncc(C)s2)c1=O
InChIInChI=1S/C10H11N3OS.C2H6/c1-7-6-12-10(15-7)13-5-3-4-8(11-2)9(13)14;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyPNXZCVMUGMBSFN-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one (CID 142523302) is ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one.
What is the SMILES notation for ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one is CC.CNc1cccn(-c2ncc(C)s2)c1=O.
What is the InChIKey of ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is PNXZCVMUGMBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS.C2H6/c1-7-6-12-10(15-7)13-5-3-4-8(11-2)9(13)14;1-2/h3-6,11H,1-2H3;1-2H3.
What are the key properties of ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one?
ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one has a molecular weight of 251.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylamino)-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 142523302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).