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

C19H20N4O3S — CID 135941950

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-11-15(18(25)21-12(2)20-11)8-9-17(24)23-19-22-16(10-27-19)13-4-6-14(26-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,20,21,25)(H,22,23,24)
InChIKeyDKZXBMCDMJZVFU-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.09
Rot. Bonds6

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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 135941950) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID135941950
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-11-15(18(25)21-12(2)20-11)8-9-17(24)23-19-22-16(10-27-19)13-4-6-14(26-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,20,21,25)(H,22,23,24)
InChIKeyDKZXBMCDMJZVFU-UHFFFAOYSA-N
XLogP3.09
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135968602
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 135968586
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 9398428
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135954920
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 3649680
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502649
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 135941950) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DKZXBMCDMJZVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-11-15(18(25)21-12(2)20-11)8-9-17(24)23-19-22-16(10-27-19)13-4-6-14(26-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,20,21,25)(H,22,23,24).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 135941950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).