4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C22H16N6O2S — CID 24649876

IUPAC4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCc1cccc2sc(NC(=O)c3cc(-c4ccccc4)nc4c(C(N)=O)ncn34)nc12
InChIInChI=1S/C22H16N6O2S/c1-12-6-5-9-16-17(12)26-22(31-16)27-21(30)15-10-14(13-7-3-2-4-8-13)25-20-18(19(23)29)24-11-28(15)20/h2-11H,1H3,(H2,23,29)(H,26,27,30)
InChIKeyWGPSSSWFOAHITE-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.67
Rot. Bonds4

About 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 24649876) has the molecular formula C22H16N6O2S and a molecular weight of 428.48 g/mol. Its IUPAC name is 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID24649876
Molecular FormulaC22H16N6O2S
Molecular Weight428.48 g/mol
Exact Mass428.11
IUPAC Name4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCc1cccc2sc(NC(=O)c3cc(-c4ccccc4)nc4c(C(N)=O)ncn34)nc12
InChIInChI=1S/C22H16N6O2S/c1-12-6-5-9-16-17(12)26-22(31-16)27-21(30)15-10-14(13-7-3-2-4-8-13)25-20-18(19(23)29)24-11-28(15)20/h2-11H,1H3,(H2,23,29)(H,26,27,30)
InChIKeyWGPSSSWFOAHITE-UHFFFAOYSA-N
XLogP3.67
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899
2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 32543144
4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25342095
2-phenyl-4-N-(3-phenylmethoxypropyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24685185
methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 24631890
2-phenyl-4-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631856
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952367
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
1-methyl-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 19494197

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 24649876) is 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is Cc1cccc2sc(NC(=O)c3cc(-c4ccccc4)nc4c(C(N)=O)ncn34)nc12.
What is the InChIKey of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is WGPSSSWFOAHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2S/c1-12-6-5-9-16-17(12)26-22(31-16)27-21(30)15-10-14(13-7-3-2-4-8-13)25-20-18(19(23)29)24-11-28(15)20/h2-11H,1H3,(H2,23,29)(H,26,27,30).
What are the key properties of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 428.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 24649876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).