2-hexan-2-yl-5-methyl-1,3-thiazole

C10H17NS — CID 166727410

IUPAC2-hexan-2-yl-5-methyl-1,3-thiazole
SMILESCCCCC(C)c1ncc(C)s1
InChIInChI=1S/C10H17NS/c1-4-5-6-8(2)10-11-7-9(3)12-10/h7-8H,4-6H2,1-3H3
InChIKeyHGQLXBWRUAUFCO-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.75
Rot. Bonds4

About 2-hexan-2-yl-5-methyl-1,3-thiazole

2-hexan-2-yl-5-methyl-1,3-thiazole (PubChem CID 166727410) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-hexan-2-yl-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-hexan-2-yl-5-methyl-1,3-thiazole
PubChem CID166727410
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-hexan-2-yl-5-methyl-1,3-thiazole
SMILESCCCCC(C)c1ncc(C)s1
InChIInChI=1S/C10H17NS/c1-4-5-6-8(2)10-11-7-9(3)12-10/h7-8H,4-6H2,1-3H3
InChIKeyHGQLXBWRUAUFCO-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-5-methyl-1,3-thiazole?
The IUPAC name of 2-hexan-2-yl-5-methyl-1,3-thiazole (CID 166727410) is 2-hexan-2-yl-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-hexan-2-yl-5-methyl-1,3-thiazole?
The canonical SMILES for 2-hexan-2-yl-5-methyl-1,3-thiazole is CCCCC(C)c1ncc(C)s1.
What is the InChIKey of 2-hexan-2-yl-5-methyl-1,3-thiazole?
The InChIKey is HGQLXBWRUAUFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-5-6-8(2)10-11-7-9(3)12-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-hexan-2-yl-5-methyl-1,3-thiazole?
2-hexan-2-yl-5-methyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-5-methyl-1,3-thiazole is sourced from PubChem (CID 166727410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).