2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide

C14H12N4O2S — CID 99841989

IUPAC2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)Cc2csc(-c3ccoc3)n2)n1
InChIInChI=1S/C14H12N4O2S/c1-9-2-4-15-14(16-9)18-12(19)6-11-8-21-13(17-11)10-3-5-20-7-10/h2-5,7-8H,6H2,1H3,(H,15,16,18,19)
InChIKeyOZLJOYDIINXIMF-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.68
Rot. Bonds4

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

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide (PubChem CID 99841989) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide
PubChem CID99841989
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)Cc2csc(-c3ccoc3)n2)n1
InChIInChI=1S/C14H12N4O2S/c1-9-2-4-15-14(16-9)18-12(19)6-11-8-21-13(17-11)10-3-5-20-7-10/h2-5,7-8H,6H2,1H3,(H,15,16,18,19)
InChIKeyOZLJOYDIINXIMF-UHFFFAOYSA-N
XLogP2.68
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide (CID 99841989) is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide is Cc1ccnc(NC(=O)Cc2csc(-c3ccoc3)n2)n1.
What is the InChIKey of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide?
The InChIKey is OZLJOYDIINXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9-2-4-15-14(16-9)18-12(19)6-11-8-21-13(17-11)10-3-5-20-7-10/h2-5,7-8H,6H2,1H3,(H,15,16,18,19).
What are the key properties of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide?
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 99841989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).