5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole

C8H15NS — CID 13324046

IUPAC5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1N=CC(C)(C)S1
InChIInChI=1S/C8H15NS/c1-6(2)7-9-5-8(3,4)10-7/h5-7H,1-4H3
InChIKeyBQMNKSIPXWTEPI-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole

5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole (PubChem CID 13324046) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole
PubChem CID13324046
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1N=CC(C)(C)S1
InChIInChI=1S/C8H15NS/c1-6(2)7-9-5-8(3,4)10-7/h5-7H,1-4H3
InChIKeyBQMNKSIPXWTEPI-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole (CID 13324046) is 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole is CC(C)C1N=CC(C)(C)S1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The InChIKey is BQMNKSIPXWTEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)7-9-5-8(3,4)10-7/h5-7H,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 13324046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).