ethyl 2-anilino-1,3-thiazole-4-carboxylate

C12H12N2O2S — CID 15053537

IUPACethyl 2-anilino-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c1-2-16-11(15)10-8-17-12(14-10)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKeyVTCUMDSDWMYUJZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.06
Rot. Bonds4

About ethyl 2-anilino-1,3-thiazole-4-carboxylate

ethyl 2-anilino-1,3-thiazole-4-carboxylate (PubChem CID 15053537) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is ethyl 2-anilino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-1,3-thiazole-4-carboxylate
PubChem CID15053537
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Nameethyl 2-anilino-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c1-2-16-11(15)10-8-17-12(14-10)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKeyVTCUMDSDWMYUJZ-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
CID 115379577
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-anilino-1,3-thiazole-4-carboxylate (CID 15053537) is ethyl 2-anilino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-anilino-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-anilino-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccccc2)n1.
What is the InChIKey of ethyl 2-anilino-1,3-thiazole-4-carboxylate?
The InChIKey is VTCUMDSDWMYUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-8-17-12(14-10)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-anilino-1,3-thiazole-4-carboxylate?
ethyl 2-anilino-1,3-thiazole-4-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15053537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).