4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide

C14H15N7OS — CID 71789831

IUPAC4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1
InChIInChI=1S/C14H15N7OS/c1-7-8(2)19-21(10(7)4)14-15-5-11(6-16-14)17-13(22)12-9(3)18-20-23-12/h5-6H,1-4H3,(H,17,22)
InChIKeyJSYCXGAFYKARRH-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.00
Rot. Bonds3

About 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide

4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide (PubChem CID 71789831) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
PubChem CID71789831
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1
InChIInChI=1S/C14H15N7OS/c1-7-8(2)19-21(10(7)4)14-15-5-11(6-16-14)17-13(22)12-9(3)18-20-23-12/h5-6H,1-4H3,(H,17,22)
InChIKeyJSYCXGAFYKARRH-UHFFFAOYSA-N
XLogP2.00
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide
CID 122298559
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
CID 122305906
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112535
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
4-nitro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300769
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112541
2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300701
2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112540
4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide (CID 71789831) is 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1.
What is the InChIKey of 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide?
The InChIKey is JSYCXGAFYKARRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-7-8(2)19-21(10(7)4)14-15-5-11(6-16-14)17-13(22)12-9(3)18-20-23-12/h5-6H,1-4H3,(H,17,22).
What are the key properties of 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide?
4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71789831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).