N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide

C20H14N6OS — CID 122285267

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2nsnc2c1
InChIInChI=1S/C20H14N6OS/c1-12-3-4-13(18-11-26-8-2-7-21-20(26)23-18)9-16(12)22-19(27)14-5-6-15-17(10-14)25-28-24-15/h2-11H,1H3,(H,22,27)
InChIKeyLZABAVKOSYNGTF-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.96
Rot. Bonds3

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 122285267) has the molecular formula C20H14N6OS and a molecular weight of 386.44 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID122285267
Molecular FormulaC20H14N6OS
Molecular Weight386.44 g/mol
Exact Mass386.09
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2nsnc2c1
InChIInChI=1S/C20H14N6OS/c1-12-3-4-13(18-11-26-8-2-7-21-20(26)23-18)9-16(12)22-19(27)14-5-6-15-17(10-14)25-28-24-15/h2-11H,1H3,(H,22,27)
InChIKeyLZABAVKOSYNGTF-UHFFFAOYSA-N
XLogP3.96
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285278
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285443
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 122285267) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2nsnc2c1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is LZABAVKOSYNGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6OS/c1-12-3-4-13(18-11-26-8-2-7-21-20(26)23-18)9-16(12)22-19(27)14-5-6-15-17(10-14)25-28-24-15/h2-11H,1H3,(H,22,27).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 122285267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).