2,5-bis(2-methylpropyl)-1,3-thiazole

C11H19NS — CID 59202136

IUPAC2,5-bis(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(CC(C)C)s1
InChIInChI=1S/C11H19NS/c1-8(2)5-10-7-12-11(13-10)6-9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyCYXDMMVGMOXRBJ-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.54
Rot. Bonds4

About 2,5-bis(2-methylpropyl)-1,3-thiazole

2,5-bis(2-methylpropyl)-1,3-thiazole (PubChem CID 59202136) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-1,3-thiazole
PubChem CID59202136
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2,5-bis(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(CC(C)C)s1
InChIInChI=1S/C11H19NS/c1-8(2)5-10-7-12-11(13-10)6-9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyCYXDMMVGMOXRBJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2,5-bis(2-methylpropyl)-1,3-thiazole (CID 59202136) is 2,5-bis(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2,5-bis(2-methylpropyl)-1,3-thiazole is CC(C)Cc1cnc(CC(C)C)s1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-1,3-thiazole?
The InChIKey is CYXDMMVGMOXRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8(2)5-10-7-12-11(13-10)6-9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)-1,3-thiazole?
2,5-bis(2-methylpropyl)-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 59202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).