ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one

C12H25NOS — CID 159650406

IUPACethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one
SMILESCC.CC(C)C.CC(C)n1ccsc1=O
InChIInChI=1S/C6H9NOS.C4H10.C2H6/c1-5(2)7-3-4-9-6(7)8;1-4(2)3;1-2/h3-5H,1-2H3;4H,1-3H3;1-2H3
InChIKeyMRMLCBDJDHMLGR-UHFFFAOYSA-N
MW231.40 g/mol
LogP4.18
Rot. Bonds1

About ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one

ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one (PubChem CID 159650406) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one.

Molecular Properties

Compound Nameethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one
PubChem CID159650406
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Nameethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one
SMILESCC.CC(C)C.CC(C)n1ccsc1=O
InChIInChI=1S/C6H9NOS.C4H10.C2H6/c1-5(2)7-3-4-9-6(7)8;1-4(2)3;1-2/h3-5H,1-2H3;4H,1-3H3;1-2H3
InChIKeyMRMLCBDJDHMLGR-UHFFFAOYSA-N
XLogP4.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
3-Tert-butyl-1,3-thiazol-2-one
CID 118602686
CID 159520608
CID 159520608
CID 160632580
CID 160632580
S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate
CID 167191445
3-(3-Methylbutyl)-1,3-thiazol-2-one
CID 115646869
3-(2-Methylpropyl)-1,3-thiazol-2-one
CID 115659278
3-(2-Methylbutyl)-1,3-thiazol-2-one
CID 115706048

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one?
The IUPAC name of ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one (CID 159650406) is ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one.
What is the SMILES notation for ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one?
The canonical SMILES for ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one is CC.CC(C)C.CC(C)n1ccsc1=O.
What is the InChIKey of ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one?
The InChIKey is MRMLCBDJDHMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS.C4H10.C2H6/c1-5(2)7-3-4-9-6(7)8;1-4(2)3;1-2/h3-5H,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one?
ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one has a molecular weight of 231.40 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one is sourced from PubChem (CID 159650406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).