propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate

C12H14N2O3S — CID 88610213

IUPACpropyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
SMILESCCCOC(=O)c1cc(OC)cc2sc(N)nc12
InChIInChI=1S/C12H14N2O3S/c1-3-4-17-11(15)8-5-7(16-2)6-9-10(8)14-12(13)18-9/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyXPCDDPOEALQMHM-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.45
Rot. Bonds4

About propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate

propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate (PubChem CID 88610213) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
PubChem CID88610213
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namepropyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
SMILESCCCOC(=O)c1cc(OC)cc2sc(N)nc12
InChIInChI=1S/C12H14N2O3S/c1-3-4-17-11(15)8-5-7(16-2)6-9-10(8)14-12(13)18-9/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyXPCDDPOEALQMHM-UHFFFAOYSA-N
XLogP2.45
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812
propyl 2-amino-5-methoxybenzoate
CID 60837149
dipropyl 5-methoxybenzene-1,3-dicarboxylate
CID 20702798
ethyl 2-amino-1,3-benzothiazole-4-carboxylate
CID 19894837
4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 134181096
2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid
CID 84677518
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079
methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
CID 131616510
2-propoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348498
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
propyl 2-amino-1,3-thiazole-4-carboxylate
CID 58670395
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
The IUPAC name of propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate (CID 88610213) is propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate.
What is the SMILES notation for propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
The canonical SMILES for propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate is CCCOC(=O)c1cc(OC)cc2sc(N)nc12.
What is the InChIKey of propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
The InChIKey is XPCDDPOEALQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-4-17-11(15)8-5-7(16-2)6-9-10(8)14-12(13)18-9/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate is sourced from PubChem (CID 88610213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).