5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide

C17H16N4O3S — CID 90317472

IUPAC5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(Oc2ccc(NC(=O)c3c(C)nsc3N)cn2)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-15(16(18)25-21-10)17(22)20-11-3-8-14(19-9-11)24-13-6-4-12(23-2)5-7-13/h3-9H,18H2,1-2H3,(H,20,22)
InChIKeyXRDRUBCFYOZOHM-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.48
Rot. Bonds5

About 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide

5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 90317472) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID90317472
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(Oc2ccc(NC(=O)c3c(C)nsc3N)cn2)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-15(16(18)25-21-10)17(22)20-11-3-8-14(19-9-11)24-13-6-4-12(23-2)5-7-13/h3-9H,18H2,1-2H3,(H,20,22)
InChIKeyXRDRUBCFYOZOHM-UHFFFAOYSA-N
XLogP3.48
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide
CID 129059855
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 118278693
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 118284834
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47789215
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801081
2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 166220726
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 90317472) is 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide is COc1ccc(Oc2ccc(NC(=O)c3c(C)nsc3N)cn2)cc1.
What is the InChIKey of 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is XRDRUBCFYOZOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-15(16(18)25-21-10)17(22)20-11-3-8-14(19-9-11)24-13-6-4-12(23-2)5-7-13/h3-9H,18H2,1-2H3,(H,20,22).
What are the key properties of 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 90317472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).