5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole

C16H16N6S — CID 163861713

IUPAC5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole
SMILESC=Cc1cnc(C2CC2c2cc(-n3ncnc3C)nc(C)n2)s1
InChIInChI=1S/C16H16N6S/c1-4-11-7-17-16(23-11)13-5-12(13)14-6-15(21-9(2)20-14)22-10(3)18-8-19-22/h4,6-8,12-13H,1,5H2,2-3H3
InChIKeyPDCOKROWTUVPRH-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.04
Rot. Bonds4

About 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole

5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole (PubChem CID 163861713) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole
PubChem CID163861713
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole
SMILESC=Cc1cnc(C2CC2c2cc(-n3ncnc3C)nc(C)n2)s1
InChIInChI=1S/C16H16N6S/c1-4-11-7-17-16(23-11)13-5-12(13)14-6-15(21-9(2)20-14)22-10(3)18-8-19-22/h4,6-8,12-13H,1,5H2,2-3H3
InChIKeyPDCOKROWTUVPRH-UHFFFAOYSA-N
XLogP3.04
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole?
The IUPAC name of 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole (CID 163861713) is 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole?
The canonical SMILES for 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole is C=Cc1cnc(C2CC2c2cc(-n3ncnc3C)nc(C)n2)s1.
What is the InChIKey of 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole?
The InChIKey is PDCOKROWTUVPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-4-11-7-17-16(23-11)13-5-12(13)14-6-15(21-9(2)20-14)22-10(3)18-8-19-22/h4,6-8,12-13H,1,5H2,2-3H3.
What are the key properties of 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole?
5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole has a molecular weight of 324.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[2-[2-methyl-6-(5-methyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclopropyl]-1,3-thiazole is sourced from PubChem (CID 163861713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).