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

C12H21NS — CID 20577292

IUPAC2,4,5-tri(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1nc(C(C)C)c(C(C)C)s1
InChIInChI=1S/C12H21NS/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-9H,1-6H3
InChIKeyRMJOVBZHUGNPCP-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.51
Rot. Bonds3

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

2,4,5-tri(propan-2-yl)-1,3-thiazole (PubChem CID 20577292) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2,4,5-tri(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4,5-tri(propan-2-yl)-1,3-thiazole
PubChem CID20577292
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2,4,5-tri(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1nc(C(C)C)c(C(C)C)s1
InChIInChI=1S/C12H21NS/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-9H,1-6H3
InChIKeyRMJOVBZHUGNPCP-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tri(propan-2-yl)-1,3-thiazole?
The IUPAC name of 2,4,5-tri(propan-2-yl)-1,3-thiazole (CID 20577292) is 2,4,5-tri(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2,4,5-tri(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 2,4,5-tri(propan-2-yl)-1,3-thiazole is CC(C)c1nc(C(C)C)c(C(C)C)s1.
What is the InChIKey of 2,4,5-tri(propan-2-yl)-1,3-thiazole?
The InChIKey is RMJOVBZHUGNPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-9H,1-6H3.
What are the key properties of 2,4,5-tri(propan-2-yl)-1,3-thiazole?
2,4,5-tri(propan-2-yl)-1,3-thiazole has a molecular weight of 211.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tri(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 20577292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).