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

C13H14N6O2S — CID 16599339

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnc3c(cnn3C)c2=O)sc1C
InChIInChI=1S/C13H14N6O2S/c1-7-8(2)22-13(16-7)17-10(20)5-19-6-14-11-9(12(19)21)4-15-18(11)3/h4,6H,5H2,1-3H3,(H,16,17,20)
InChIKeyVNFCSWSWCJFVAE-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.84
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 16599339) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID16599339
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnc3c(cnn3C)c2=O)sc1C
InChIInChI=1S/C13H14N6O2S/c1-7-8(2)22-13(16-7)17-10(20)5-19-6-14-11-9(12(19)21)4-15-18(11)3/h4,6H,5H2,1-3H3,(H,16,17,20)
InChIKeyVNFCSWSWCJFVAE-UHFFFAOYSA-N
XLogP0.84
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 16599339) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cc1nc(NC(=O)Cn2cnc3c(cnn3C)c2=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is VNFCSWSWCJFVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c1-7-8(2)22-13(16-7)17-10(20)5-19-6-14-11-9(12(19)21)4-15-18(11)3/h4,6H,5H2,1-3H3,(H,16,17,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 318.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 16599339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).