ethane;2-methylpropane;1,3-thiazole

C9H19NS — CID 90889940

IUPACethane;2-methylpropane;1,3-thiazole
SMILESCC.CC(C)C.c1cscn1
InChIInChI=1S/C4H10.C3H3NS.C2H6/c1-4(2)3;1-2-5-3-4-1;1-2/h4H,1-3H3;1-3H;1-2H3
InChIKeyWKTVLPHPIJRPHY-UHFFFAOYSA-N
MW173.33 g/mol
LogP3.83
Rot. Bonds

About ethane;2-methylpropane;1,3-thiazole

ethane;2-methylpropane;1,3-thiazole (PubChem CID 90889940) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is ethane;2-methylpropane;1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methylpropane;1,3-thiazole
PubChem CID90889940
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC Nameethane;2-methylpropane;1,3-thiazole
SMILESCC.CC(C)C.c1cscn1
InChIInChI=1S/C4H10.C3H3NS.C2H6/c1-4(2)3;1-2-5-3-4-1;1-2/h4H,1-3H3;1-3H;1-2H3
InChIKeyWKTVLPHPIJRPHY-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;1,3-thiazole?
The IUPAC name of ethane;2-methylpropane;1,3-thiazole (CID 90889940) is ethane;2-methylpropane;1,3-thiazole.
What is the SMILES notation for ethane;2-methylpropane;1,3-thiazole?
The canonical SMILES for ethane;2-methylpropane;1,3-thiazole is CC.CC(C)C.c1cscn1.
What is the InChIKey of ethane;2-methylpropane;1,3-thiazole?
The InChIKey is WKTVLPHPIJRPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H3NS.C2H6/c1-4(2)3;1-2-5-3-4-1;1-2/h4H,1-3H3;1-3H;1-2H3.
What are the key properties of ethane;2-methylpropane;1,3-thiazole?
ethane;2-methylpropane;1,3-thiazole has a molecular weight of 173.33 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;1,3-thiazole is sourced from PubChem (CID 90889940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).