1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one

C12H17N3OS — CID 139390357

IUPAC1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one
SMILESCCNc1cccn(C2=NC(C)(C)CS2)c1=O
InChIInChI=1S/C12H17N3OS/c1-4-13-9-6-5-7-15(10(9)16)11-14-12(2,3)8-17-11/h5-7,13H,4,8H2,1-3H3
InChIKeySMAZPWXVCMGZBF-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.01
Rot. Bonds2

About 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one

1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one (PubChem CID 139390357) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one
PubChem CID139390357
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one
SMILESCCNc1cccn(C2=NC(C)(C)CS2)c1=O
InChIInChI=1S/C12H17N3OS/c1-4-13-9-6-5-7-15(10(9)16)11-14-12(2,3)8-17-11/h5-7,13H,4,8H2,1-3H3
InChIKeySMAZPWXVCMGZBF-UHFFFAOYSA-N
XLogP2.01
TPSA46.39 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one (CID 139390357) is 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one is CCNc1cccn(C2=NC(C)(C)CS2)c1=O.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one?
The InChIKey is SMAZPWXVCMGZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-4-13-9-6-5-7-15(10(9)16)11-14-12(2,3)8-17-11/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one?
1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one has a molecular weight of 251.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one is sourced from PubChem (CID 139390357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).