ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate

C17H15N3O4S — CID 4262324

IUPACethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)n1
InChIInChI=1S/C17H15N3O4S/c1-3-24-16(22)13-6-4-5-12(18-13)15(21)20-17-19-11-8-7-10(23-2)9-14(11)25-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyOIVMSCPQIZAZRF-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.13
Rot. Bonds5

About ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate

ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate (PubChem CID 4262324) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate
PubChem CID4262324
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Nameethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)n1
InChIInChI=1S/C17H15N3O4S/c1-3-24-16(22)13-6-4-5-12(18-13)15(21)20-17-19-11-8-7-10(23-2)9-14(11)25-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyOIVMSCPQIZAZRF-UHFFFAOYSA-N
XLogP3.13
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2596988
N-(6-methoxybenzo[d]thiazol-2-yl)-4-(phenylamino)benzamide
CID 117940825
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405955

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate (CID 4262324) is ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)n1.
What is the InChIKey of ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is OIVMSCPQIZAZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-3-24-16(22)13-6-4-5-12(18-13)15(21)20-17-19-11-8-7-10(23-2)9-14(11)25-17/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate?
ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 4262324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).