ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate

C12H13N3O3S — CID 78919756

IUPACethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(OC)nc2)n1
InChIInChI=1S/C12H13N3O3S/c1-3-18-11(16)9-7-19-12(15-9)14-8-4-5-10(17-2)13-6-8/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVBGSCUIXIPPNEN-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.47
Rot. Bonds5

About ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 78919756) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID78919756
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Nameethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(OC)nc2)n1
InChIInChI=1S/C12H13N3O3S/c1-3-18-11(16)9-7-19-12(15-9)14-8-4-5-10(17-2)13-6-8/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVBGSCUIXIPPNEN-UHFFFAOYSA-N
XLogP2.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
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
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 80569285
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 155815410
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate (CID 78919756) is ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccc(OC)nc2)n1.
What is the InChIKey of ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is VBGSCUIXIPPNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-3-18-11(16)9-7-19-12(15-9)14-8-4-5-10(17-2)13-6-8/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78919756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).