3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C16H19N7O2S — CID 135885910

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nnc(C)s3)c2C)n1
InChIInChI=1S/C16H19N7O2S/c1-8-7-14(25)18-15(17-8)23-10(3)12(9(2)22-23)5-6-13(24)19-16-21-20-11(4)26-16/h7H,5-6H2,1-4H3,(H,17,18,25)(H,19,21,24)
InChIKeyCGCGDNCPDKYZDD-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.61
Rot. Bonds5

About 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 135885910) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID135885910
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nnc(C)s3)c2C)n1
InChIInChI=1S/C16H19N7O2S/c1-8-7-14(25)18-15(17-8)23-10(3)12(9(2)22-23)5-6-13(24)19-16-21-20-11(4)26-16/h7H,5-6H2,1-4H3,(H,17,18,25)(H,19,21,24)
InChIKeyCGCGDNCPDKYZDD-UHFFFAOYSA-N
XLogP1.61
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 135885910) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nnc(C)s3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CGCGDNCPDKYZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2S/c1-8-7-14(25)18-15(17-8)23-10(3)12(9(2)22-23)5-6-13(24)19-16-21-20-11(4)26-16/h7H,5-6H2,1-4H3,(H,17,18,25)(H,19,21,24).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 373.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 135885910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).