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

C20H22N4O4S — CID 135968602

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)c(OC)c1
InChIInChI=1S/C20H22N4O4S/c1-11-14(19(26)22-12(2)21-11)7-8-18(25)24-20-23-16(10-29-20)15-6-5-13(27-3)9-17(15)28-4/h5-6,9-10H,7-8H2,1-4H3,(H,21,22,26)(H,23,24,25)
InChIKeyWEPBNWUDOAOXGM-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.10
Rot. Bonds7

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135968602) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135968602
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)c(OC)c1
InChIInChI=1S/C20H22N4O4S/c1-11-14(19(26)22-12(2)21-11)7-8-18(25)24-20-23-16(10-29-20)15-6-5-13(27-3)9-17(15)28-4/h5-6,9-10H,7-8H2,1-4H3,(H,21,22,26)(H,23,24,25)
InChIKeyWEPBNWUDOAOXGM-UHFFFAOYSA-N
XLogP3.10
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
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CID 135968586
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
CID 91822652
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CID 18585641
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
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N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135968602) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is WEPBNWUDOAOXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-11-14(19(26)22-12(2)21-11)7-8-18(25)24-20-23-16(10-29-20)15-6-5-13(27-3)9-17(15)28-4/h5-6,9-10H,7-8H2,1-4H3,(H,21,22,26)(H,23,24,25).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 414.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135968602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).