thian-3-yl(1,2-thiazol-5-yl)methanol

C9H13NOS2 — CID 130871292

IUPACthian-3-yl(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)C1CCCSC1
InChIInChI=1S/C9H13NOS2/c11-9(8-3-4-10-13-8)7-2-1-5-12-6-7/h3-4,7,9,11H,1-2,5-6H2
InChIKeyCIFXPWNWRSUROC-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.32
Rot. Bonds2

About thian-3-yl(1,2-thiazol-5-yl)methanol

thian-3-yl(1,2-thiazol-5-yl)methanol (PubChem CID 130871292) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is thian-3-yl(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Namethian-3-yl(1,2-thiazol-5-yl)methanol
PubChem CID130871292
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Namethian-3-yl(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)C1CCCSC1
InChIInChI=1S/C9H13NOS2/c11-9(8-3-4-10-13-8)7-2-1-5-12-6-7/h3-4,7,9,11H,1-2,5-6H2
InChIKeyCIFXPWNWRSUROC-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130900775
(3-Methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
CID 130914162
2-Ethyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 130917848
(2,2-Dimethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130942687
2-Cyclopentyl-1-(1,2-thiazol-5-yl)ethanol
CID 130942819
2-(Thian-4-yl)-1-(1,2-thiazol-5-yl)ethanol
CID 130943557
Cycloheptyl(1,2-thiazol-5-yl)methanol
CID 130952207

Frequently Asked Questions

What is the IUPAC name of thian-3-yl(1,2-thiazol-5-yl)methanol?
The IUPAC name of thian-3-yl(1,2-thiazol-5-yl)methanol (CID 130871292) is thian-3-yl(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for thian-3-yl(1,2-thiazol-5-yl)methanol?
The canonical SMILES for thian-3-yl(1,2-thiazol-5-yl)methanol is OC(c1ccns1)C1CCCSC1.
What is the InChIKey of thian-3-yl(1,2-thiazol-5-yl)methanol?
The InChIKey is CIFXPWNWRSUROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c11-9(8-3-4-10-13-8)7-2-1-5-12-6-7/h3-4,7,9,11H,1-2,5-6H2.
What are the key properties of thian-3-yl(1,2-thiazol-5-yl)methanol?
thian-3-yl(1,2-thiazol-5-yl)methanol has a molecular weight of 215.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thian-3-yl(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130871292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).