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

C16H18N6O2S — CID 135885905

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nccs3)c2C)n1
InChIInChI=1S/C16H18N6O2S/c1-9-8-14(24)19-15(18-9)22-11(3)12(10(2)21-22)4-5-13(23)20-16-17-6-7-25-16/h6-8H,4-5H2,1-3H3,(H,17,20,23)(H,18,19,24)
InChIKeyXYYOIVMOVUPPBJ-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.91
Rot. Bonds5

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

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 135885905) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID135885905
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nccs3)c2C)n1
InChIInChI=1S/C16H18N6O2S/c1-9-8-14(24)19-15(18-9)22-11(3)12(10(2)21-22)4-5-13(23)20-16-17-6-7-25-16/h6-8H,4-5H2,1-3H3,(H,17,20,23)(H,18,19,24)
InChIKeyXYYOIVMOVUPPBJ-UHFFFAOYSA-N
XLogP1.91
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 135885906
3-{isopropyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-N-1,3-thiazol-2-ylpropanamide
CID 50954475
2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
N-(1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41527366
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 17476772
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 9508655
N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24575342
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24575402
N-(1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41527367
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-(1,3-thiazol-2-YL)acetamide
CID 46269600
2-[2-(3,5-Dimethyl-4-pentyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]-N-(1,3-thiazol-2-YL)acetamide
CID 46269633
3-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiazol-2-yl)propanamide
CID 135892805

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-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 135885905) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-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-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nccs3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XYYOIVMOVUPPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-9-8-14(24)19-15(18-9)22-11(3)12(10(2)21-22)4-5-13(23)20-16-17-6-7-25-16/h6-8H,4-5H2,1-3H3,(H,17,20,23)(H,18,19,24).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 358.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 135885905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).