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

C12H13N3O2S — CID 52903989

IUPACethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cccc(C)n2)n1
InChIInChI=1S/C12H13N3O2S/c1-3-17-11(16)9-7-18-12(14-9)15-10-6-4-5-8(2)13-10/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyOIKDFAZWKQNUAN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.77
Rot. Bonds4

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

ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 52903989) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID52903989
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cccc(C)n2)n1
InChIInChI=1S/C12H13N3O2S/c1-3-17-11(16)9-7-18-12(14-9)15-10-6-4-5-8(2)13-10/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyOIKDFAZWKQNUAN-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
butyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510030
methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510028
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510013
ethyl 2-[5-(3-iodoanilino)-2-methylanilino]-1,3-thiazole-4-carboxylate
CID 174489557
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510075
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-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate (CID 52903989) is ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2cccc(C)n2)n1.
What is the InChIKey of ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is OIKDFAZWKQNUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-17-11(16)9-7-18-12(14-9)15-10-6-4-5-8(2)13-10/h4-7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 52903989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).