3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole

C8H15NS — CID 154535860

IUPAC3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC1=CSC(C(C)C)N1C
InChIInChI=1S/C8H15NS/c1-6(2)8-9(4)7(3)5-10-8/h5-6,8H,1-4H3
InChIKeyOQBLAVKFIMPVSH-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.51
Rot. Bonds1

About 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole

3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole (PubChem CID 154535860) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
PubChem CID154535860
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC1=CSC(C(C)C)N1C
InChIInChI=1S/C8H15NS/c1-6(2)8-9(4)7(3)5-10-8/h5-6,8H,1-4H3
InChIKeyOQBLAVKFIMPVSH-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole (CID 154535860) is 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole is CC1=CSC(C(C)C)N1C.
What is the InChIKey of 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The InChIKey is OQBLAVKFIMPVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)8-9(4)7(3)5-10-8/h5-6,8H,1-4H3.
What are the key properties of 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 154535860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).