3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol

C11H11NOS2 — CID 104591016

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol
SMILESCc1nc(Sc2cccc(O)c2)sc1C
InChIInChI=1S/C11H11NOS2/c1-7-8(2)14-11(12-7)15-10-5-3-4-9(13)6-10/h3-6,13H,1-2H3
InChIKeyQFSAQMXMQSDDEK-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.62
Rot. Bonds2

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol

3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol (PubChem CID 104591016) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol
PubChem CID104591016
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol
SMILESCc1nc(Sc2cccc(O)c2)sc1C
InChIInChI=1S/C11H11NOS2/c1-7-8(2)14-11(12-7)15-10-5-3-4-9(13)6-10/h3-6,13H,1-2H3
InChIKeyQFSAQMXMQSDDEK-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol (CID 104591016) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol is Cc1nc(Sc2cccc(O)c2)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol?
The InChIKey is QFSAQMXMQSDDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-7-8(2)14-11(12-7)15-10-5-3-4-9(13)6-10/h3-6,13H,1-2H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol has a molecular weight of 237.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol is sourced from PubChem (CID 104591016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).