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

C17H18N4O3S — CID 129059855

IUPAC5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(Oc2ccc(NC(=O)C3=C(N)SNC3C)cn2)cc1
InChIInChI=1S/C17H18N4O3S/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/h3-10,21H,18H2,1-2H3,(H,20,22)
InChIKeyCJIOBUQLVXHYJU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.63
Rot. Bonds5

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

5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide (PubChem CID 129059855) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide
PubChem CID129059855
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(Oc2ccc(NC(=O)C3=C(N)SNC3C)cn2)cc1
InChIInChI=1S/C17H18N4O3S/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/h3-10,21H,18H2,1-2H3,(H,20,22)
InChIKeyCJIOBUQLVXHYJU-UHFFFAOYSA-N
XLogP2.63
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90317472
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 55713973
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801081
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
N-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55714129
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-2,3-dihydro-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide (CID 129059855) is 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide is COc1ccc(Oc2ccc(NC(=O)C3=C(N)SNC3C)cn2)cc1.
What is the InChIKey of 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide?
The InChIKey is CJIOBUQLVXHYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/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/h3-10,21H,18H2,1-2H3,(H,20,22).
What are the key properties of 5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide?
5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-2,3-dihydro-1,2-thiazole-4-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 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-2,3-dihydro-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 129059855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).