2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide

C14H12N4OS — CID 652148

IUPAC2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H12N4OS/c1-8-3-2-6-16-12(8)18-13(19)9-4-5-10-11(7-9)20-14(15)17-10/h2-7H,1H3,(H2,15,17)(H,16,18,19)
InChIKeyFBVQSQPJVDZPHL-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 652148) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
PubChem CID652148
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H12N4OS/c1-8-3-2-6-16-12(8)18-13(19)9-4-5-10-11(7-9)20-14(15)17-10/h2-7H,1H3,(H2,15,17)(H,16,18,19)
InChIKeyFBVQSQPJVDZPHL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide (CID 652148) is 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide is Cc1cccnc1NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is FBVQSQPJVDZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-8-3-2-6-16-12(8)18-13(19)9-4-5-10-11(7-9)20-14(15)17-10/h2-7H,1H3,(H2,15,17)(H,16,18,19).
What are the key properties of 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-2-pyridinyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 652148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).