3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one

C16H16N4O2S — CID 88699621

IUPAC3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one
SMILESCOc1ccc(Nc2nc(-c3cc(N)c(=O)[nH]c3C)cs2)cc1
InChIInChI=1S/C16H16N4O2S/c1-9-12(7-13(17)15(21)18-9)14-8-23-16(20-14)19-10-3-5-11(22-2)6-4-10/h3-8H,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIIJBLSGYDODQJR-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.14
Rot. Bonds4

About 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one

3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one (PubChem CID 88699621) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one
PubChem CID88699621
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one
SMILESCOc1ccc(Nc2nc(-c3cc(N)c(=O)[nH]c3C)cs2)cc1
InChIInChI=1S/C16H16N4O2S/c1-9-12(7-13(17)15(21)18-9)14-8-23-16(20-14)19-10-3-5-11(22-2)6-4-10/h3-8H,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIIJBLSGYDODQJR-UHFFFAOYSA-N
XLogP3.14
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-(2,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 7954962
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
4-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 139972662
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3556747
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
methyl 3-[3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962536
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one (CID 88699621) is 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one is COc1ccc(Nc2nc(-c3cc(N)c(=O)[nH]c3C)cs2)cc1.
What is the InChIKey of 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one?
The InChIKey is IIJBLSGYDODQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-12(7-13(17)15(21)18-9)14-8-23-16(20-14)19-10-3-5-11(22-2)6-4-10/h3-8H,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one?
3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one has a molecular weight of 328.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 88699621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).