7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C19H16N6O2S — CID 75470195

IUPAC7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccnc4c(C(N)=O)cnn34)n2)c(C)c1
InChIInChI=1S/C19H16N6O2S/c1-10-3-4-12(11(2)7-10)14-9-28-19(23-14)24-18(27)15-5-6-21-17-13(16(20)26)8-22-25(15)17/h3-9H,1-2H3,(H2,20,26)(H,23,24,27)
InChIKeyJFYHHGOSVQMUMA-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.82
Rot. Bonds4

About 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 75470195) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID75470195
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccnc4c(C(N)=O)cnn34)n2)c(C)c1
InChIInChI=1S/C19H16N6O2S/c1-10-3-4-12(11(2)7-10)14-9-28-19(23-14)24-18(27)15-5-6-21-17-13(16(20)26)8-22-25(15)17/h3-9H,1-2H3,(H2,20,26)(H,23,24,27)
InChIKeyJFYHHGOSVQMUMA-UHFFFAOYSA-N
XLogP2.82
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 167770344
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 47061107
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773082
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828

Frequently Asked Questions

What is the IUPAC name of 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 75470195) is 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is Cc1ccc(-c2csc(NC(=O)c3ccnc4c(C(N)=O)cnn34)n2)c(C)c1.
What is the InChIKey of 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is JFYHHGOSVQMUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-10-3-4-12(11(2)7-10)14-9-28-19(23-14)24-18(27)15-5-6-21-17-13(16(20)26)8-22-25(15)17/h3-9H,1-2H3,(H2,20,26)(H,23,24,27).
What are the key properties of 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 75470195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).