6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one

C13H17N3OS — CID 82523958

IUPAC6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one
SMILESCNc1nc(-c2ccc(C(C)(C)C)[nH]c2=O)cs1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)10-6-5-8(11(17)16-10)9-7-18-12(14-4)15-9/h5-7H,1-4H3,(H,14,15)(H,16,17)
InChIKeySLQQYHOSFZATSW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.84
Rot. Bonds2

About 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one

6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one (PubChem CID 82523958) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one
PubChem CID82523958
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one
SMILESCNc1nc(-c2ccc(C(C)(C)C)[nH]c2=O)cs1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)10-6-5-8(11(17)16-10)9-7-18-12(14-4)15-9/h5-7H,1-4H3,(H,14,15)(H,16,17)
InChIKeySLQQYHOSFZATSW-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(methylamino)-1,3-thiazol-4-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82522670
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697
N-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 59363535
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 10355730
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
[2-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]methanol
CID 88788468
N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 8963026

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one (CID 82523958) is 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one is CNc1nc(-c2ccc(C(C)(C)C)[nH]c2=O)cs1.
What is the InChIKey of 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one?
The InChIKey is SLQQYHOSFZATSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,3)10-6-5-8(11(17)16-10)9-7-18-12(14-4)15-9/h5-7H,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one?
6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 82523958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).