2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole

C10H11N3S — CID 58415693

IUPAC2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCC(C)c1cncnc1-c1nccs1
InChIInChI=1S/C10H11N3S/c1-7(2)8-5-11-6-13-9(8)10-12-3-4-14-10/h3-7H,1-2H3
InChIKeyUTOHUKYDEQQCOA-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.72
Rot. Bonds2

About 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole

2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 58415693) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
PubChem CID58415693
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCC(C)c1cncnc1-c1nccs1
InChIInChI=1S/C10H11N3S/c1-7(2)8-5-11-6-13-9(8)10-12-3-4-14-10/h3-7H,1-2H3
InChIKeyUTOHUKYDEQQCOA-UHFFFAOYSA-N
XLogP2.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole (CID 58415693) is 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole is CC(C)c1cncnc1-c1nccs1.
What is the InChIKey of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is UTOHUKYDEQQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7(2)8-5-11-6-13-9(8)10-12-3-4-14-10/h3-7H,1-2H3.
What are the key properties of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 205.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 58415693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).