ethane;2-methyl-1,3-thiazole;propane

C9H19NS — CID 143558084

IUPACethane;2-methyl-1,3-thiazole;propane
SMILESCC.CCC.Cc1nccs1
InChIInChI=1S/C4H5NS.C3H8.C2H6/c1-4-5-2-3-6-4;1-3-2;1-2/h2-3H,1H3;3H2,1-2H3;1-2H3
InChIKeyUARQTGKTFUEKAA-UHFFFAOYSA-N
MW173.32 g/mol
LogP3.89
Rot. Bonds

About ethane;2-methyl-1,3-thiazole;propane

ethane;2-methyl-1,3-thiazole;propane (PubChem CID 143558084) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is ethane;2-methyl-1,3-thiazole;propane.

Molecular Properties

Compound Nameethane;2-methyl-1,3-thiazole;propane
PubChem CID143558084
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Nameethane;2-methyl-1,3-thiazole;propane
SMILESCC.CCC.Cc1nccs1
InChIInChI=1S/C4H5NS.C3H8.C2H6/c1-4-5-2-3-6-4;1-3-2;1-2/h2-3H,1H3;3H2,1-2H3;1-2H3
InChIKeyUARQTGKTFUEKAA-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;2-ethyl-1,3-thiazole;iodomethane
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CID 170585159
(213C)1,3-thiazol-2-amine
CID 87204445
2-methylidene-3H-thiophene;2-methyl-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-thiazole;propane?
The IUPAC name of ethane;2-methyl-1,3-thiazole;propane (CID 143558084) is ethane;2-methyl-1,3-thiazole;propane.
What is the SMILES notation for ethane;2-methyl-1,3-thiazole;propane?
The canonical SMILES for ethane;2-methyl-1,3-thiazole;propane is CC.CCC.Cc1nccs1.
What is the InChIKey of ethane;2-methyl-1,3-thiazole;propane?
The InChIKey is UARQTGKTFUEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.C3H8.C2H6/c1-4-5-2-3-6-4;1-3-2;1-2/h2-3H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1,3-thiazole;propane?
ethane;2-methyl-1,3-thiazole;propane has a molecular weight of 173.32 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-thiazole;propane is sourced from PubChem (CID 143558084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).