N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide

C14H12N4O3S — CID 122304064

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1ncc(NC(=O)c2nc3ccccc3s2)c(OC)n1
InChIInChI=1S/C14H12N4O3S/c1-20-12-9(7-15-14(18-12)21-2)16-11(19)13-17-8-5-3-4-6-10(8)22-13/h3-7H,1-2H3,(H,16,19)
InChIKeyZAXYOAQNLCEJKW-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.36
Rot. Bonds4

About N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide

N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 122304064) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID122304064
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1ncc(NC(=O)c2nc3ccccc3s2)c(OC)n1
InChIInChI=1S/C14H12N4O3S/c1-20-12-9(7-15-14(18-12)21-2)16-11(19)13-17-8-5-3-4-6-10(8)22-13/h3-7H,1-2H3,(H,16,19)
InChIKeyZAXYOAQNLCEJKW-UHFFFAOYSA-N
XLogP2.36
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 172855459
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(2,4-dimethoxypyrimidin-5-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122304066
4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122304110
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide (CID 122304064) is N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide is COc1ncc(NC(=O)c2nc3ccccc3s2)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is ZAXYOAQNLCEJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-20-12-9(7-15-14(18-12)21-2)16-11(19)13-17-8-5-3-4-6-10(8)22-13/h3-7H,1-2H3,(H,16,19).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide?
N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 122304064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).