4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride

C20H22ClN3O2S — CID 163329790

IUPAC4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ccccc1OCCNc1nc(C)c(C(=O)Nc2ccccc2)s1.Cl
InChIInChI=1S/C20H21N3O2S.ClH/c1-14-8-6-7-11-17(14)25-13-12-21-20-22-15(2)18(26-20)19(24)23-16-9-4-3-5-10-16;/h3-11H,12-13H2,1-2H3,(H,21,22)(H,23,24);1H
InChIKeyVNSDTLNHTPVHDO-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.92
Rot. Bonds7

About 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride

4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 163329790) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID163329790
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ccccc1OCCNc1nc(C)c(C(=O)Nc2ccccc2)s1.Cl
InChIInChI=1S/C20H21N3O2S.ClH/c1-14-8-6-7-11-17(14)25-13-12-21-20-22-15(2)18(26-20)19(24)23-16-9-4-3-5-10-16;/h3-11H,12-13H2,1-2H3,(H,21,22)(H,23,24);1H
InChIKeyVNSDTLNHTPVHDO-UHFFFAOYSA-N
XLogP4.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dimethylphenoxy)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9156014
4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate
CID 9156219
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110443786
4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 108787864
2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152832
2-(3-methoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154626
2-[3-(dimethylamino)propanoylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110442436
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 163329790) is 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride is Cc1ccccc1OCCNc1nc(C)c(C(=O)Nc2ccccc2)s1.Cl.
What is the InChIKey of 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is VNSDTLNHTPVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.ClH/c1-14-8-6-7-11-17(14)25-13-12-21-20-22-15(2)18(26-20)19(24)23-16-9-4-3-5-10-16;/h3-11H,12-13H2,1-2H3,(H,21,22)(H,23,24);1H.
What are the key properties of 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride?
4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 163329790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).