N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide

C21H15N5OS — CID 122285278

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C21H15N5OS/c1-13-3-4-14(18-11-26-8-2-7-22-21(26)25-18)9-17(13)24-20(27)15-5-6-16-19(10-15)28-12-23-16/h2-12H,1H3,(H,24,27)
InChIKeyXHXJPSRUBZHTSS-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.57
Rot. Bonds3

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 122285278) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID122285278
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C21H15N5OS/c1-13-3-4-14(18-11-26-8-2-7-22-21(26)25-18)9-17(13)24-20(27)15-5-6-16-19(10-15)28-12-23-16/h2-12H,1H3,(H,24,27)
InChIKeyXHXJPSRUBZHTSS-UHFFFAOYSA-N
XLogP4.57
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285443
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
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)-3-(trifluoromethoxy)benzamide
CID 122285351
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
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
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
CID 122285263

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide (CID 122285278) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XHXJPSRUBZHTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-13-3-4-14(18-11-26-8-2-7-22-21(26)25-18)9-17(13)24-20(27)15-5-6-16-19(10-15)28-12-23-16/h2-12H,1H3,(H,24,27).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 122285278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).