N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide

C21H18N4O2S2 — CID 53168636

IUPACN-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cncc(-c3nc(-c4cccs4)cs3)c2=O)c(C)c1
InChIInChI=1S/C21H18N4O2S2/c1-13-5-6-16(14(2)8-13)23-19(26)10-25-12-22-9-15(21(25)27)20-24-17(11-29-20)18-4-3-7-28-18/h3-9,11-12H,10H2,1-2H3,(H,23,26)
InChIKeySLPKUNVXSIGWQL-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.35
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide (PubChem CID 53168636) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
PubChem CID53168636
Molecular FormulaC21H18N4O2S2
Molecular Weight422.54 g/mol
Exact Mass422.09
IUPAC NameN-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cncc(-c3nc(-c4cccs4)cs3)c2=O)c(C)c1
InChIInChI=1S/C21H18N4O2S2/c1-13-5-6-16(14(2)8-13)23-19(26)10-25-12-22-9-15(21(25)27)20-24-17(11-29-20)18-4-3-7-28-18/h3-9,11-12H,10H2,1-2H3,(H,23,26)
InChIKeySLPKUNVXSIGWQL-UHFFFAOYSA-N
XLogP4.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one
CID 53168631
N-(2-ethylphenyl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
CID 53168605
N-(2,4-dimethylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 36704967
N-(2-chloro-4-methylphenyl)-2-(6-oxo-11-thiophen-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 53039180
2-(2,4-dimethylanilino)-N'-[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]acetohydrazide
CID 55439904
N-(2,4-dimethylphenyl)-3-[3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46366766
N-(1,3-benzodioxol-5-yl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
CID 53168620
2-(4-oxoquinazolin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2567187
N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53155388
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541753
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151
N-(2,4-dimethylphenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725854

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide (CID 53168636) is N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cncc(-c3nc(-c4cccs4)cs3)c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
The InChIKey is SLPKUNVXSIGWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c1-13-5-6-16(14(2)8-13)23-19(26)10-25-12-22-9-15(21(25)27)20-24-17(11-29-20)18-4-3-7-28-18/h3-9,11-12H,10H2,1-2H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide has a molecular weight of 422.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53168636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).