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

C17H20N6O2S — CID 135892805

IUPAC3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1nccs1
InChIInChI=1S/C17H20N6O2S/c1-9-10(2)19-16(21-15(9)25)23-12(4)13(11(3)22-23)5-6-14(24)20-17-18-7-8-26-17/h7-8H,5-6H2,1-4H3,(H,18,20,24)(H,19,21,25)
InChIKeyIDRPWVREASPTTN-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.22
Rot. Bonds5

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

3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 135892805) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID135892805
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1nccs1
InChIInChI=1S/C17H20N6O2S/c1-9-10(2)19-16(21-15(9)25)23-12(4)13(11(3)22-23)5-6-14(24)20-17-18-7-8-26-17/h7-8H,5-6H2,1-4H3,(H,18,20,24)(H,19,21,25)
InChIKeyIDRPWVREASPTTN-UHFFFAOYSA-N
XLogP2.22
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780709
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-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(thiazol-2-yl)propanamide
CID 135885905
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)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267474
2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 169169282
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
CID 169169592
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 172633841
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-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 43069901

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 135892805) is 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1nccs1.
What is the InChIKey of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is IDRPWVREASPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-9-10(2)19-16(21-15(9)25)23-12(4)13(11(3)22-23)5-6-14(24)20-17-18-7-8-26-17/h7-8H,5-6H2,1-4H3,(H,18,20,24)(H,19,21,25).
What are the key properties of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 372.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 135892805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).