5-(2,2-dimethylpropyl)-1,3-thiazole

C8H13NS — CID 21062117

IUPAC5-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1cncs1
InChIInChI=1S/C8H13NS/c1-8(2,3)4-7-5-9-6-10-7/h5-6H,4H2,1-3H3
InChIKeyPXCKBXBQGNHQCV-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.73
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1,3-thiazole

5-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 21062117) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID21062117
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1cncs1
InChIInChI=1S/C8H13NS/c1-8(2,3)4-7-5-9-6-10-7/h5-6H,4H2,1-3H3
InChIKeyPXCKBXBQGNHQCV-UHFFFAOYSA-N
XLogP2.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1,3-thiazole (CID 21062117) is 5-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)Cc1cncs1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is PXCKBXBQGNHQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-8(2,3)4-7-5-9-6-10-7/h5-6H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1,3-thiazole?
5-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 21062117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).