5-(4-methylhexan-2-yl)-1,2-thiazole

C10H17NS — CID 134333456

IUPAC5-(4-methylhexan-2-yl)-1,2-thiazole
SMILESCCC(C)CC(C)c1ccns1
InChIInChI=1S/C10H17NS/c1-4-8(2)7-9(3)10-5-6-11-12-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyVMZWKULEPUAODO-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.68
Rot. Bonds4

About 5-(4-methylhexan-2-yl)-1,2-thiazole

5-(4-methylhexan-2-yl)-1,2-thiazole (PubChem CID 134333456) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-(4-methylhexan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(4-methylhexan-2-yl)-1,2-thiazole
PubChem CID134333456
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-(4-methylhexan-2-yl)-1,2-thiazole
SMILESCCC(C)CC(C)c1ccns1
InChIInChI=1S/C10H17NS/c1-4-8(2)7-9(3)10-5-6-11-12-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyVMZWKULEPUAODO-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylhexan-2-yl)-1,2-thiazole?
The IUPAC name of 5-(4-methylhexan-2-yl)-1,2-thiazole (CID 134333456) is 5-(4-methylhexan-2-yl)-1,2-thiazole.
What is the SMILES notation for 5-(4-methylhexan-2-yl)-1,2-thiazole?
The canonical SMILES for 5-(4-methylhexan-2-yl)-1,2-thiazole is CCC(C)CC(C)c1ccns1.
What is the InChIKey of 5-(4-methylhexan-2-yl)-1,2-thiazole?
The InChIKey is VMZWKULEPUAODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-8(2)7-9(3)10-5-6-11-12-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 5-(4-methylhexan-2-yl)-1,2-thiazole?
5-(4-methylhexan-2-yl)-1,2-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylhexan-2-yl)-1,2-thiazole is sourced from PubChem (CID 134333456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).