4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole

C9H15NS — CID 20774316

IUPAC4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC(C)(C)C)cs1
InChIInChI=1S/C9H15NS/c1-7-10-8(6-11-7)5-9(2,3)4/h6H,5H2,1-4H3
InChIKeyBPVGWTAFSGATHD-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.04
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole

4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole (PubChem CID 20774316) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole
PubChem CID20774316
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC(C)(C)C)cs1
InChIInChI=1S/C9H15NS/c1-7-10-8(6-11-7)5-9(2,3)4/h6H,5H2,1-4H3
InChIKeyBPVGWTAFSGATHD-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole (CID 20774316) is 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole is Cc1nc(CC(C)(C)C)cs1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole?
The InChIKey is BPVGWTAFSGATHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7-10-8(6-11-7)5-9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole?
4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 20774316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).