trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol

C9H13NOS2 — CID 102735669

IUPACtrans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1csc(S[C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C9H13NOS2/c1-6-5-12-9(10-6)13-8-4-2-3-7(8)11/h5,7-8,11H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyMVNANTIYUQZANY-YUMQZZPRSA-N
MW215.34 g/mol
LogP2.46
Rot. Bonds2

About trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol

trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol (PubChem CID 102735669) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol
PubChem CID102735669
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Nametrans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1csc(S[C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C9H13NOS2/c1-6-5-12-9(10-6)13-8-4-2-3-7(8)11/h5,7-8,11H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyMVNANTIYUQZANY-YUMQZZPRSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol (CID 102735669) is trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol is Cc1csc(S[C@H]2CCC[C@@H]2O)n1.
What is the InChIKey of trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol?
The InChIKey is MVNANTIYUQZANY-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-6-5-12-9(10-6)13-8-4-2-3-7(8)11/h5,7-8,11H,2-4H2,1H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol?
trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 102735669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).