ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole

C10H21NS — CID 165126735

IUPACethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC.CCN1C=CSC1C(C)C
InChIInChI=1S/C8H15NS.C2H6/c1-4-9-5-6-10-8(9)7(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyXDEUKGXIJGJULF-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.53
Rot. Bonds2

About ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole

ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole (PubChem CID 165126735) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Nameethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole
PubChem CID165126735
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole
SMILESCC.CCN1C=CSC1C(C)C
InChIInChI=1S/C8H15NS.C2H6/c1-4-9-5-6-10-8(9)7(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyXDEUKGXIJGJULF-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole (CID 165126735) is ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole is CC.CCN1C=CSC1C(C)C.
What is the InChIKey of ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole?
The InChIKey is XDEUKGXIJGJULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-4-9-5-6-10-8(9)7(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole?
ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole has a molecular weight of 187.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 165126735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).