5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole

C8H15NS — CID 135229335

IUPAC5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole
SMILESCC1=CNC(CC(C)C)S1
InChIInChI=1S/C8H15NS/c1-6(2)4-8-9-5-7(3)10-8/h5-6,8-9H,4H2,1-3H3
InChIKeyCOGNJMLQGNRDCF-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds2

About 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole

5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole (PubChem CID 135229335) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole
PubChem CID135229335
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole
SMILESCC1=CNC(CC(C)C)S1
InChIInChI=1S/C8H15NS/c1-6(2)4-8-9-5-7(3)10-8/h5-6,8-9H,4H2,1-3H3
InChIKeyCOGNJMLQGNRDCF-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole (CID 135229335) is 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole is CC1=CNC(CC(C)C)S1.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is COGNJMLQGNRDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)4-8-9-5-7(3)10-8/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole?
5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 135229335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).