ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C15H13N3O3S2 — CID 4283428

IUPACethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
InChIInChI=1S/C15H13N3O3S2/c1-3-21-14(20)12-8(2)17-15(23-12)18-13(19)9-4-5-10-11(6-9)22-7-16-10/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyAOVCPROOULFRAI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.49
Rot. Bonds4

About ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 4283428) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID4283428
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Nameethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
InChIInChI=1S/C15H13N3O3S2/c1-3-21-14(20)12-8(2)17-15(23-12)18-13(19)9-4-5-10-11(6-9)22-7-16-10/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyAOVCPROOULFRAI-UHFFFAOYSA-N
XLogP3.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 4283428) is ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C.
What is the InChIKey of ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is AOVCPROOULFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-3-21-14(20)12-8(2)17-15(23-12)18-13(19)9-4-5-10-11(6-9)22-7-16-10/h4-7H,3H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4283428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).