ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol

C7H15NOS — CID 144762343

IUPACethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
SMILESCC.CC1=CSC(CO)N1
InChIInChI=1S/C5H9NOS.C2H6/c1-4-3-8-5(2-7)6-4;1-2/h3,5-7H,2H2,1H3;1-2H3
InChIKeySTGNQBVZCSWGKN-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.53
Rot. Bonds1

About ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol

ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol (PubChem CID 144762343) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Nameethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
PubChem CID144762343
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Nameethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
SMILESCC.CC1=CSC(CO)N1
InChIInChI=1S/C5H9NOS.C2H6/c1-4-3-8-5(2-7)6-4;1-2/h3,5-7H,2H2,1H3;1-2H3
InChIKeySTGNQBVZCSWGKN-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol
CID 89129970
(5-Methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
CID 129112024
(4-Methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
CID 129112389
(2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol
CID 163928442
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol
CID 141259283

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
The IUPAC name of ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol (CID 144762343) is ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
The canonical SMILES for ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol is CC.CC1=CSC(CO)N1.
What is the InChIKey of ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
The InChIKey is STGNQBVZCSWGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS.C2H6/c1-4-3-8-5(2-7)6-4;1-2/h3,5-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol has a molecular weight of 161.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 144762343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).