5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide

C14H12N4OS — CID 122184478

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C14H12N4OS/c1-16-13(19)11-5-3-9(7-17-11)8-2-4-10-12(6-8)20-14(15)18-10/h2-7H,1H3,(H2,15,18)(H,16,19)
InChIKeyHLYCMIUSQBLQAY-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.30
Rot. Bonds2

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide (PubChem CID 122184478) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide
PubChem CID122184478
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C14H12N4OS/c1-16-13(19)11-5-3-9(7-17-11)8-2-4-10-12(6-8)20-14(15)18-10/h2-7H,1H3,(H2,15,18)(H,16,19)
InChIKeyHLYCMIUSQBLQAY-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide (CID 122184478) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is HLYCMIUSQBLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-16-13(19)11-5-3-9(7-17-11)8-2-4-10-12(6-8)20-14(15)18-10/h2-7H,1H3,(H2,15,18)(H,16,19).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122184478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).