1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol

C11H17NOS2 — CID 115090169

IUPAC1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCSCC2)s1
InChIInChI=1S/C11H17NOS2/c1-8(13)10-7-12-11(15-10)6-9-2-4-14-5-3-9/h7-9,13H,2-6H2,1H3
InChIKeyFNDVDKOGWNNADG-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.88
Rot. Bonds3

About 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol

1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 115090169) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID115090169
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCSCC2)s1
InChIInChI=1S/C11H17NOS2/c1-8(13)10-7-12-11(15-10)6-9-2-4-14-5-3-9/h7-9,13H,2-6H2,1H3
InChIKeyFNDVDKOGWNNADG-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115090197
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115091052
1-[2-(thian-4-ylmethyl)-1,3-oxazol-5-yl]ethanol
CID 115085353
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090753
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089750
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090233
N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091138
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090223
1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 171594182
2-[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 130942367
1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
CID 65141390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol (CID 115090169) is 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(CC2CCSCC2)s1.
What is the InChIKey of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is FNDVDKOGWNNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-8(13)10-7-12-11(15-10)6-9-2-4-14-5-3-9/h7-9,13H,2-6H2,1H3.
What are the key properties of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 243.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115090169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).