ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine

C9H20N2OS — CID 91094828

IUPACethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCC.CCO.CNCc1nccs1
InChIInChI=1S/C5H8N2S.C2H6O.C2H6/c1-6-4-5-7-2-3-8-5;1-2-3;1-2/h2-3,6H,4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyRCNYMCDGUURQRN-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.89
Rot. Bonds2

About ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine

ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 91094828) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Nameethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine
PubChem CID91094828
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Nameethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCC.CCO.CNCc1nccs1
InChIInChI=1S/C5H8N2S.C2H6O.C2H6/c1-6-4-5-7-2-3-8-5;1-2-3;1-2/h2-3,6H,4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyRCNYMCDGUURQRN-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine (CID 91094828) is ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine is CC.CCO.CNCc1nccs1.
What is the InChIKey of ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is RCNYMCDGUURQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C2H6O.C2H6/c1-6-4-5-7-2-3-8-5;1-2-3;1-2/h2-3,6H,4H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine?
ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 204.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 91094828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).