N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C19H18N6O2S — CID 17488493

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)cc1C
InChIInChI=1S/C19H18N6O2S/c1-11-4-5-13(6-12(11)2)15-9-28-19(22-15)23-16(26)8-25-10-20-17-14(18(25)27)7-21-24(17)3/h4-7,9-10H,8H2,1-3H3,(H,22,23,26)
InChIKeyWMTZQZWWJJNFMW-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 17488493) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID17488493
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)cc1C
InChIInChI=1S/C19H18N6O2S/c1-11-4-5-13(6-12(11)2)15-9-28-19(22-15)23-16(26)8-25-10-20-17-14(18(25)27)7-21-24(17)3/h4-7,9-10H,8H2,1-3H3,(H,22,23,26)
InChIKeyWMTZQZWWJJNFMW-UHFFFAOYSA-N
XLogP2.51
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 43038734
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24594266
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 42187032
N-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24595472
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16594435
N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17416732
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424153
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32938737
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 18138888
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17440622

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 17488493) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cc1ccc(-c2csc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is WMTZQZWWJJNFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-11-4-5-13(6-12(11)2)15-9-28-19(22-15)23-16(26)8-25-10-20-17-14(18(25)27)7-21-24(17)3/h4-7,9-10H,8H2,1-3H3,(H,22,23,26).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 394.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 17488493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).