4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate

C19H17N2O3S- — CID 9156219

IUPAC4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCc1nc(NCCOc2ccccc2-c2ccccc2)sc1C(=O)[O-]
InChIInChI=1S/C19H18N2O3S/c1-13-17(18(22)23)25-19(21-13)20-11-12-24-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,21)(H,22,23)/p-1
InChIKeyNZWVKANUGYPENY-UHFFFAOYSA-M
MW353.42 g/mol
LogP2.97
Rot. Bonds7

About 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate

4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate (PubChem CID 9156219) has the molecular formula C19H17N2O3S- and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate
PubChem CID9156219
Molecular FormulaC19H17N2O3S-
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCc1nc(NCCOc2ccccc2-c2ccccc2)sc1C(=O)[O-]
InChIInChI=1S/C19H18N2O3S/c1-13-17(18(22)23)25-19(21-13)20-11-12-24-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,21)(H,22,23)/p-1
InChIKeyNZWVKANUGYPENY-UHFFFAOYSA-M
XLogP2.97
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-tert-butyl-5-methylphenoxy)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9156118
2-[2-(2-tert-butyl-4-ethylphenoxy)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9156102
4-methyl-2-[2-(2-methylphenoxy)ethylamino]-N-phenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 163329790
4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874789
2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155947
2-[2-(2,6-dimethylphenoxy)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9156014
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9149034
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168628
6-methyl-N-[2-(2-phenylphenoxy)ethyl]pyrazin-2-amine
CID 133468807
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate (CID 9156219) is 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate is Cc1nc(NCCOc2ccccc2-c2ccccc2)sc1C(=O)[O-].
What is the InChIKey of 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is NZWVKANUGYPENY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N2O3S/c1-13-17(18(22)23)25-19(21-13)20-11-12-24-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,21)(H,22,23)/p-1.
What are the key properties of 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate?
4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9156219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).