2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol

C7H11NOS2 — CID 10081219

IUPAC2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol
SMILESCSc1ncc(C(C)(C)O)s1
InChIInChI=1S/C7H11NOS2/c1-7(2,9)5-4-8-6(10-3)11-5/h4,9H,1-3H3
InChIKeyORFJHXNMTHVLAI-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.09
Rot. Bonds2

About 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol

2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 10081219) has the molecular formula C7H11NOS2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID10081219
Molecular FormulaC7H11NOS2
Molecular Weight189.30 g/mol
Exact Mass189.03
IUPAC Name2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol
SMILESCSc1ncc(C(C)(C)O)s1
InChIInChI=1S/C7H11NOS2/c1-7(2,9)5-4-8-6(10-3)11-5/h4,9H,1-3H3
InChIKeyORFJHXNMTHVLAI-UHFFFAOYSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol (CID 10081219) is 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol is CSc1ncc(C(C)(C)O)s1.
What is the InChIKey of 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is ORFJHXNMTHVLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS2/c1-7(2,9)5-4-8-6(10-3)11-5/h4,9H,1-3H3.
What are the key properties of 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol?
2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 10081219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).