ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate

C12H13N3O2S — CID 14171370

IUPACethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1Nc1ccccc1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)9-10(13)15-18-11(9)14-8-6-4-3-5-7-8/h3-7,14H,2H2,1H3,(H2,13,15)
InChIKeyRDWDDPAOYWTILQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.65
Rot. Bonds4

About ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate (PubChem CID 14171370) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
PubChem CID14171370
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1Nc1ccccc1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)9-10(13)15-18-11(9)14-8-6-4-3-5-7-8/h3-7,14H,2H2,1H3,(H2,13,15)
InChIKeyRDWDDPAOYWTILQ-UHFFFAOYSA-N
XLogP2.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate (CID 14171370) is ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1Nc1ccccc1.
What is the InChIKey of ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
The InChIKey is RDWDDPAOYWTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-12(16)9-10(13)15-18-11(9)14-8-6-4-3-5-7-8/h3-7,14H,2H2,1H3,(H2,13,15).
What are the key properties of ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 14171370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).