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

C19H20N4O2S — CID 90509990

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1csc(Nc2cccc(C)n2)n1
InChIInChI=1S/C19H20N4O2S/c1-13-6-5-9-17(21-13)23-19-22-15(12-26-19)18(24)20-11-10-14-7-3-4-8-16(14)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyQOXAUKNKPPRIMJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.57
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90509990) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90509990
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1csc(Nc2cccc(C)n2)n1
InChIInChI=1S/C19H20N4O2S/c1-13-6-5-9-17(21-13)23-19-22-15(12-26-19)18(24)20-11-10-14-7-3-4-8-16(14)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyQOXAUKNKPPRIMJ-UHFFFAOYSA-N
XLogP3.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 90510136
N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948483
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510028
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 90509990) is N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is COc1ccccc1CCNC(=O)c1csc(Nc2cccc(C)n2)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is QOXAUKNKPPRIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-6-5-9-17(21-13)23-19-22-15(12-26-19)18(24)20-11-10-14-7-3-4-8-16(14)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90509990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).