1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone

C12H13N3O2S — CID 5297179

IUPAC1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(Nc2nc(N)c(C(C)=O)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-7(16)10-11(13)15-12(18-10)14-8-3-5-9(17-2)6-4-8/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyNVDRMQSURAQWNN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.68
Rot. Bonds4

About 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone

1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 5297179) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID5297179
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(Nc2nc(N)c(C(C)=O)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-7(16)10-11(13)15-12(18-10)14-8-3-5-9(17-2)6-4-8/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyNVDRMQSURAQWNN-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone (CID 5297179) is 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone is COc1ccc(Nc2nc(N)c(C(C)=O)s2)cc1.
What is the InChIKey of 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is NVDRMQSURAQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7(16)10-11(13)15-12(18-10)14-8-3-5-9(17-2)6-4-8/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone?
1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 263.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 5297179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).