(1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol

C8H11NOS2 — CID 130900775

IUPAC(1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
SMILESCSC1(C(O)c2ccns2)CC1
InChIInChI=1S/C8H11NOS2/c1-11-8(3-4-8)7(10)6-2-5-9-12-6/h2,5,7,10H,3-4H2,1H3
InChIKeyCXGLLUVHSAIDGR-UHFFFAOYSA-N
MW201.32 g/mol
LogP2.07
Rot. Bonds3

About (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol

(1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 130900775) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
PubChem CID130900775
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name(1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
SMILESCSC1(C(O)c2ccns2)CC1
InChIInChI=1S/C8H11NOS2/c1-11-8(3-4-8)7(10)6-2-5-9-12-6/h2,5,7,10H,3-4H2,1H3
InChIKeyCXGLLUVHSAIDGR-UHFFFAOYSA-N
XLogP2.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879
Thian-3-yl(1,2-thiazol-5-yl)methanol
CID 130871292
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295
(3-Methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
CID 130914162
1-(2-Methylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130917862

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol (CID 130900775) is (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol is CSC1(C(O)c2ccns2)CC1.
What is the InChIKey of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is CXGLLUVHSAIDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-11-8(3-4-8)7(10)6-2-5-9-12-6/h2,5,7,10H,3-4H2,1H3.
What are the key properties of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol?
(1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 201.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130900775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).