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

C21H18N4O2S — CID 59683056

IUPAC2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2cc(-c3ccco3)nc(-c3nccs3)n2)cc1C
InChIInChI=1S/C21H18N4O2S/c1-13-5-6-15(10-14(13)2)11-19(26)24-18-12-16(17-4-3-8-27-17)23-20(25-18)21-22-7-9-28-21/h3-10,12H,11H2,1-2H3,(H,23,24,25,26)
InChIKeySICGKGZIGYYRGU-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.66
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 59683056) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID59683056
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2cc(-c3ccco3)nc(-c3nccs3)n2)cc1C
InChIInChI=1S/C21H18N4O2S/c1-13-5-6-15(10-14(13)2)11-19(26)24-18-12-16(17-4-3-8-27-17)23-20(25-18)21-22-7-9-28-21/h3-10,12H,11H2,1-2H3,(H,23,24,25,26)
InChIKeySICGKGZIGYYRGU-UHFFFAOYSA-N
XLogP4.66
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 59683056) is 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is Cc1ccc(CC(=O)Nc2cc(-c3ccco3)nc(-c3nccs3)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is SICGKGZIGYYRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-5-6-15(10-14(13)2)11-19(26)24-18-12-16(17-4-3-8-27-17)23-20(25-18)21-22-7-9-28-21/h3-10,12H,11H2,1-2H3,(H,23,24,25,26).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 390.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59683056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).