N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C22H25N3O3S — CID 55805483

IUPACN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cn1
InChIInChI=1S/C22H25N3O3S/c1-5-27-17-8-6-7-9-18(17)28-19-11-10-16(12-23-19)13-24-21(26)20-15(4)25-22(29-20)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26)
InChIKeyRGAYCIBZSYYQTD-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.09
Rot. Bonds8

About N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55805483) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55805483
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cn1
InChIInChI=1S/C22H25N3O3S/c1-5-27-17-8-6-7-9-18(17)28-19-11-10-16(12-23-19)13-24-21(26)20-15(4)25-22(29-20)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26)
InChIKeyRGAYCIBZSYYQTD-UHFFFAOYSA-N
XLogP5.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55933615
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318732
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006587
1-butyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111152170
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111901120
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48985394

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 55805483) is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is CCOc1ccccc1Oc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cn1.
What is the InChIKey of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RGAYCIBZSYYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-5-27-17-8-6-7-9-18(17)28-19-11-10-16(12-23-19)13-24-21(26)20-15(4)25-22(29-20)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26).
What are the key properties of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55805483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).