5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

C18H15N5S2 — CID 58416158

IUPAC5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1cc(C)nc(-c2nc(-c3sc(-c4cccnc4)nc3C)cs2)n1
InChIInChI=1S/C18H15N5S2/c1-10-7-11(2)21-16(20-10)18-23-14(9-24-18)15-12(3)22-17(25-15)13-5-4-6-19-8-13/h4-9H,1-3H3
InChIKeyJKEFOVAOESYOGW-UHFFFAOYSA-N
MW365.49 g/mol
LogP4.71
Rot. Bonds3

About 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416158) has the molecular formula C18H15N5S2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416158
Molecular FormulaC18H15N5S2
Molecular Weight365.49 g/mol
Exact Mass365.08
IUPAC Name5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1cc(C)nc(-c2nc(-c3sc(-c4cccnc4)nc3C)cs2)n1
InChIInChI=1S/C18H15N5S2/c1-10-7-11(2)21-16(20-10)18-23-14(9-24-18)15-12(3)22-17(25-15)13-5-4-6-19-8-13/h4-9H,1-3H3
InChIKeyJKEFOVAOESYOGW-UHFFFAOYSA-N
XLogP4.71
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416158) is 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1cc(C)nc(-c2nc(-c3sc(-c4cccnc4)nc3C)cs2)n1.
What is the InChIKey of 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is JKEFOVAOESYOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S2/c1-10-7-11(2)21-16(20-10)18-23-14(9-24-18)15-12(3)22-17(25-15)13-5-4-6-19-8-13/h4-9H,1-3H3.
What are the key properties of 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 365.49 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).