2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide

C12H9N5OS — CID 60719150

IUPAC2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ncccn3)cc2s1
InChIInChI=1S/C12H9N5OS/c13-11-16-8-3-2-7(6-9(8)19-11)10(18)17-12-14-4-1-5-15-12/h1-6H,(H2,13,16)(H,14,15,17,18)
InChIKeyKTHYSWHEZRXSFF-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide

2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 60719150) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
PubChem CID60719150
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ncccn3)cc2s1
InChIInChI=1S/C12H9N5OS/c13-11-16-8-3-2-7(6-9(8)19-11)10(18)17-12-14-4-1-5-15-12/h1-6H,(H2,13,16)(H,14,15,17,18)
InChIKeyKTHYSWHEZRXSFF-UHFFFAOYSA-N
XLogP1.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349486
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60635946
2-amino-N-(4-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 110451284
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide (CID 60719150) is 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)Nc3ncccn3)cc2s1.
What is the InChIKey of 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is KTHYSWHEZRXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c13-11-16-8-3-2-7(6-9(8)19-11)10(18)17-12-14-4-1-5-15-12/h1-6H,(H2,13,16)(H,14,15,17,18).
What are the key properties of 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide?
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60719150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).