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

C21H15N5O2S — CID 122285443

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C21H15N5O2S/c1-28-18-6-4-13(17-11-26-8-2-7-22-21(26)25-17)9-16(18)24-20(27)14-3-5-15-19(10-14)29-12-23-15/h2-12H,1H3,(H,24,27)
InChIKeyTXIPTBFUNZVPKW-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.27
Rot. Bonds4

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

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 122285443) has the molecular formula C21H15N5O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID122285443
Molecular FormulaC21H15N5O2S
Molecular Weight401.45 g/mol
Exact Mass401.09
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C21H15N5O2S/c1-28-18-6-4-13(17-11-26-8-2-7-22-21(26)25-17)9-16(18)24-20(27)14-3-5-15-19(10-14)29-12-23-15/h2-12H,1H3,(H,24,27)
InChIKeyTXIPTBFUNZVPKW-UHFFFAOYSA-N
XLogP4.27
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.27
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
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiophene-2-carboxamide
CID 122285495
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 121033055
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285527
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
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-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086914

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide (CID 122285443) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is TXIPTBFUNZVPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S/c1-28-18-6-4-13(17-11-26-8-2-7-22-21(26)25-17)9-16(18)24-20(27)14-3-5-15-19(10-14)29-12-23-15/h2-12H,1H3,(H,24,27).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.27, 4 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-methoxyphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 122285443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).