5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide

C16H15N3O2S — CID 134434340

IUPAC5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc2sc(-c3ccc(C(=O)N(C)C)nc3)nc2c1
InChIInChI=1S/C16H15N3O2S/c1-19(2)16(20)12-6-4-10(9-17-12)15-18-13-8-11(21-3)5-7-14(13)22-15/h4-9H,1-3H3
InChIKeyJHVGQWXQEJZCMM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds3

About 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide

5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 134434340) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID134434340
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc2sc(-c3ccc(C(=O)N(C)C)nc3)nc2c1
InChIInChI=1S/C16H15N3O2S/c1-19(2)16(20)12-6-4-10(9-17-12)15-18-13-8-11(21-3)5-7-14(13)22-15/h4-9H,1-3H3
InChIKeyJHVGQWXQEJZCMM-UHFFFAOYSA-N
XLogP3.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide (CID 134434340) is 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide is COc1ccc2sc(-c3ccc(C(=O)N(C)C)nc3)nc2c1.
What is the InChIKey of 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is JHVGQWXQEJZCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19(2)16(20)12-6-4-10(9-17-12)15-18-13-8-11(21-3)5-7-14(13)22-15/h4-9H,1-3H3.
What are the key properties of 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide?
5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 134434340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).