(1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol

C8H11NOS2 — CID 130663123

IUPAC(1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol
SMILESCSC1(C(O)c2ccsn2)CC1
InChIInChI=1S/C8H11NOS2/c1-11-8(3-4-8)7(10)6-2-5-12-9-6/h2,5,7,10H,3-4H2,1H3
InChIKeyUKGHZPSHSJXZBJ-UHFFFAOYSA-N
MW201.32 g/mol
LogP2.07
Rot. Bonds3

About (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol

(1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol (PubChem CID 130663123) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol
PubChem CID130663123
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name(1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol
SMILESCSC1(C(O)c2ccsn2)CC1
InChIInChI=1S/C8H11NOS2/c1-11-8(3-4-8)7(10)6-2-5-12-9-6/h2,5,7,10H,3-4H2,1H3
InChIKeyUKGHZPSHSJXZBJ-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

1-(Isothiazol-3-yl)ethanol
CID 19017861
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
2-Methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002572

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol (CID 130663123) is (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol is CSC1(C(O)c2ccsn2)CC1.
What is the InChIKey of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is UKGHZPSHSJXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-11-8(3-4-8)7(10)6-2-5-12-9-6/h2,5,7,10H,3-4H2,1H3.
What are the key properties of (1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol?
(1-methylsulfanylcyclopropyl)-(1,2-thiazol-3-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-3-yl)methanol is sourced from PubChem (CID 130663123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).