ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride

C11H12ClN3O2S — CID 71778831

IUPACethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc(Nc2ccccn2)n1.Cl
InChIInChI=1S/C11H11N3O2S.ClH/c1-2-16-10(15)8-7-17-11(13-8)14-9-5-3-4-6-12-9;/h3-7H,2H2,1H3,(H,12,13,14);1H
InChIKeyVONNUPIPDQUMJS-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.88
Rot. Bonds4

About ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride

ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride (PubChem CID 71778831) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
PubChem CID71778831
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Nameethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc(Nc2ccccn2)n1.Cl
InChIInChI=1S/C11H11N3O2S.ClH/c1-2-16-10(15)8-7-17-11(13-8)14-9-5-3-4-6-12-9;/h3-7H,2H2,1H3,(H,12,13,14);1H
InChIKeyVONNUPIPDQUMJS-UHFFFAOYSA-N
XLogP2.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 80567880
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509763
(1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
CID 71930613
ethyl pyridine-2-carboxylate
CID 17307
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-[(3-ethyl-2-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 82746082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride (CID 71778831) is ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride is CCOC(=O)c1csc(Nc2ccccn2)n1.Cl.
What is the InChIKey of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride?
The InChIKey is VONNUPIPDQUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S.ClH/c1-2-16-10(15)8-7-17-11(13-8)14-9-5-3-4-6-12-9;/h3-7H,2H2,1H3,(H,12,13,14);1H.
What are the key properties of ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride?
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride has a molecular weight of 285.76 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 71778831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).