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

C10H13N3OS — CID 137450812

IUPAC3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC1(C)CSC(n2cccc(N)c2=O)=N1
InChIInChI=1S/C10H13N3OS/c1-10(2)6-15-9(12-10)13-5-3-4-7(11)8(13)14/h3-5H,6,11H2,1-2H3
InChIKeyYVCYFAXKQBUBMT-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.16
Rot. Bonds

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

3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 137450812) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one
PubChem CID137450812
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC1(C)CSC(n2cccc(N)c2=O)=N1
InChIInChI=1S/C10H13N3OS/c1-10(2)6-15-9(12-10)13-5-3-4-7(11)8(13)14/h3-5H,6,11H2,1-2H3
InChIKeyYVCYFAXKQBUBMT-UHFFFAOYSA-N
XLogP1.16
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate
CID 137450811
1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383840
1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one
CID 139390357
1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(sulfanylmethylamino)pyridin-2-one
CID 155017832
7-[(2-Amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66223155

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one (CID 137450812) is 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one is CC1(C)CSC(n2cccc(N)c2=O)=N1.
What is the InChIKey of 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is YVCYFAXKQBUBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(2)6-15-9(12-10)13-5-3-4-7(11)8(13)14/h3-5H,6,11H2,1-2H3.
What are the key properties of 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one?
3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 137450812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).