2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide

C14H12N4OS — CID 24804394

IUPAC2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide
SMILESCNc1ccc(-c2nc3ccc(C(N)=O)cc3s2)cn1
InChIInChI=1S/C14H12N4OS/c1-16-12-5-3-9(7-17-12)14-18-10-4-2-8(13(15)19)6-11(10)20-14/h2-7H,1H3,(H2,15,19)(H,16,17)
InChIKeyZWUXPTCPVKHJKV-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.50
Rot. Bonds3

About 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide

2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 24804394) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide
PubChem CID24804394
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide
SMILESCNc1ccc(-c2nc3ccc(C(N)=O)cc3s2)cn1
InChIInChI=1S/C14H12N4OS/c1-16-12-5-3-9(7-17-12)14-18-10-4-2-8(13(15)19)6-11(10)20-14/h2-7H,1H3,(H2,15,19)(H,16,17)
InChIKeyZWUXPTCPVKHJKV-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide (CID 24804394) is 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide is CNc1ccc(-c2nc3ccc(C(N)=O)cc3s2)cn1.
What is the InChIKey of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZWUXPTCPVKHJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-16-12-5-3-9(7-17-12)14-18-10-4-2-8(13(15)19)6-11(10)20-14/h2-7H,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide?
2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24804394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).