(3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol

C9H13NOS3 — CID 131081481

IUPAC(3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol
SMILESCC1SCCSC1C(O)c1ccns1
InChIInChI=1S/C9H13NOS3/c1-6-9(13-5-4-12-6)8(11)7-2-3-10-14-7/h2-3,6,8-9,11H,4-5H2,1H3
InChIKeyLHNASBORVDNRTR-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.41
Rot. Bonds2

About (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol

(3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 131081481) has the molecular formula C9H13NOS3 and a molecular weight of 247.41 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID131081481
Molecular FormulaC9H13NOS3
Molecular Weight247.41 g/mol
Exact Mass247.02
IUPAC Name(3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol
SMILESCC1SCCSC1C(O)c1ccns1
InChIInChI=1S/C9H13NOS3/c1-6-9(13-5-4-12-6)8(11)7-2-3-10-14-7/h2-3,6,8-9,11H,4-5H2,1H3
InChIKeyLHNASBORVDNRTR-UHFFFAOYSA-N
XLogP2.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
(3-Methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
CID 130735930
Thian-3-yl(1,2-thiazol-5-yl)methanol
CID 130871292
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130900775
1,4-Dithian-2-yl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130905277
2-(Thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol
CID 130943557
2-Methylsulfonyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130952216
2,2,3,3-Tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 130952217
Cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol
CID 131059323
3-Methyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 131150994

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol (CID 131081481) is (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol is CC1SCCSC1C(O)c1ccns1.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is LHNASBORVDNRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS3/c1-6-9(13-5-4-12-6)8(11)7-2-3-10-14-7/h2-3,6,8-9,11H,4-5H2,1H3.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol?
(3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 247.41 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 131081481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).