2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol

C11H11NOS2 — CID 116889638

IUPAC2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
SMILESCCOc1ccc(-c2nc(S)cs2)cc1
InChIInChI=1S/C11H11NOS2/c1-2-13-9-5-3-8(4-6-9)11-12-10(14)7-15-11/h3-7,14H,2H2,1H3
InChIKeySIHKCIPBIWCGGX-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.50
Rot. Bonds3

About 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol

2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol (PubChem CID 116889638) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
PubChem CID116889638
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
SMILESCCOc1ccc(-c2nc(S)cs2)cc1
InChIInChI=1S/C11H11NOS2/c1-2-13-9-5-3-8(4-6-9)11-12-10(14)7-15-11/h3-7,14H,2H2,1H3
InChIKeySIHKCIPBIWCGGX-UHFFFAOYSA-N
XLogP3.50
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
CID 2442244
cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8933405
(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 24573384
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153458
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 120659131
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol?
The IUPAC name of 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol (CID 116889638) is 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol is CCOc1ccc(-c2nc(S)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol?
The InChIKey is SIHKCIPBIWCGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-2-13-9-5-3-8(4-6-9)11-12-10(14)7-15-11/h3-7,14H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol?
2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol has a molecular weight of 237.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol is sourced from PubChem (CID 116889638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).