azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole

C12H27N3S — CID 66614919

IUPACazane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole
SMILESCCC(c1nccs1)C(C)C(C)(C)C.N.N
InChIInChI=1S/C12H21NS.2H3N/c1-6-10(9(2)12(3,4)5)11-13-7-8-14-11;;/h7-10H,6H2,1-5H3;2*1H3
InChIKeyWQPAMXWSNKUFPH-UHFFFAOYSA-N
MW245.44 g/mol
LogP4.64
Rot. Bonds3

About azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole

azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole (PubChem CID 66614919) has the molecular formula C12H27N3S and a molecular weight of 245.44 g/mol. Its IUPAC name is azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Nameazane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole
PubChem CID66614919
Molecular FormulaC12H27N3S
Molecular Weight245.44 g/mol
Exact Mass245.19
IUPAC Nameazane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole
SMILESCCC(c1nccs1)C(C)C(C)(C)C.N.N
InChIInChI=1S/C12H21NS.2H3N/c1-6-10(9(2)12(3,4)5)11-13-7-8-14-11;;/h7-10H,6H2,1-5H3;2*1H3
InChIKeyWQPAMXWSNKUFPH-UHFFFAOYSA-N
XLogP4.64
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole?
The IUPAC name of azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole (CID 66614919) is azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole.
What is the SMILES notation for azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole?
The canonical SMILES for azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole is CCC(c1nccs1)C(C)C(C)(C)C.N.N.
What is the InChIKey of azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole?
The InChIKey is WQPAMXWSNKUFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS.2H3N/c1-6-10(9(2)12(3,4)5)11-13-7-8-14-11;;/h7-10H,6H2,1-5H3;2*1H3.
What are the key properties of azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole?
azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole has a molecular weight of 245.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(4,5,5-trimethylhexan-3-yl)-1,3-thiazole is sourced from PubChem (CID 66614919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).