2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide

C20H23N5O2S — CID 155589605

IUPAC2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide
SMILESCNCC(=O)NCCOc1cc(C)nc(Nc2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C20H23N5O2S/c1-14-10-16(27-9-8-22-19(26)13-21-2)11-18(24-14)25-20-23-12-17(28-20)15-6-4-3-5-7-15/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyUSAVLLVWFLTPJI-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.97
Rot. Bonds9

About 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide

2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide (PubChem CID 155589605) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide
PubChem CID155589605
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide
SMILESCNCC(=O)NCCOc1cc(C)nc(Nc2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C20H23N5O2S/c1-14-10-16(27-9-8-22-19(26)13-21-2)11-18(24-14)25-20-23-12-17(28-20)15-6-4-3-5-7-15/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyUSAVLLVWFLTPJI-UHFFFAOYSA-N
XLogP2.97
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
1-[(3-Ethoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405222
1-[(3-Propoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405796
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
2-(4-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4800249
2-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800914
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46943803
2-(3,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 8924146
2-phenoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)propanamide
CID 16304541
2-Phenoxy-N-(4-pyridin-4-yl-thiazol-2-yl)-acetamide
CID 4658609

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide (CID 155589605) is 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide is CNCC(=O)NCCOc1cc(C)nc(Nc2ncc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide?
The InChIKey is USAVLLVWFLTPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14-10-16(27-9-8-22-19(26)13-21-2)11-18(24-14)25-20-23-12-17(28-20)15-6-4-3-5-7-15/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide?
2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]acetamide is sourced from PubChem (CID 155589605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).