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

C8H18N2S — CID 175375593

IUPACazane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC1=CSC(C(C)C)N1C.N
InChIInChI=1S/C8H15NS.H3N/c1-6(2)8-9(4)7(3)5-10-8;/h5-6,8H,1-4H3;1H3
InChIKeyGWJHKRGELVGJFY-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.67
Rot. Bonds1

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

azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole (PubChem CID 175375593) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Nameazane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
PubChem CID175375593
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Nameazane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC1=CSC(C(C)C)N1C.N
InChIInChI=1S/C8H15NS.H3N/c1-6(2)8-9(4)7(3)5-10-8;/h5-6,8H,1-4H3;1H3
InChIKeyGWJHKRGELVGJFY-UHFFFAOYSA-N
XLogP2.67
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole (CID 175375593) is azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole is CC1=CSC(C(C)C)N1C.N.
What is the InChIKey of azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
The InChIKey is GWJHKRGELVGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.H3N/c1-6(2)8-9(4)7(3)5-10-8;/h5-6,8H,1-4H3;1H3.
What are the key properties of azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole?
azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole has a molecular weight of 174.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 175375593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).