2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate

C14H19N3O2S — CID 3147180

IUPAC2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCCN(CC)CCOC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-3-17(4-2)7-8-19-13(18)10-5-6-11-12(9-10)20-14(15)16-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16)
InChIKeyKSABDNVOHOFEFC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.38
Rot. Bonds6

About 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate

2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate (PubChem CID 3147180) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate
PubChem CID3147180
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCCN(CC)CCOC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-3-17(4-2)7-8-19-13(18)10-5-6-11-12(9-10)20-14(15)16-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16)
InChIKeyKSABDNVOHOFEFC-UHFFFAOYSA-N
XLogP2.38
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CID 3147180) is 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate is CCN(CC)CCOC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The InChIKey is KSABDNVOHOFEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-17(4-2)7-8-19-13(18)10-5-6-11-12(9-10)20-14(15)16-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-amino-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 3147180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).