3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol

C10H11NS3 — CID 116968907

IUPAC3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
SMILESSCCCc1nc(-c2cccs2)cs1
InChIInChI=1S/C10H11NS3/c12-5-1-4-10-11-8(7-14-10)9-3-2-6-13-9/h2-3,6-7,12H,1,4-5H2
InChIKeyLZSPKRFNJHOMFY-UHFFFAOYSA-N
MW241.41 g/mol
LogP3.73
Rot. Bonds4

About 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol

3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol (PubChem CID 116968907) has the molecular formula C10H11NS3 and a molecular weight of 241.41 g/mol. Its IUPAC name is 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
PubChem CID116968907
Molecular FormulaC10H11NS3
Molecular Weight241.41 g/mol
Exact Mass241.01
IUPAC Name3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
SMILESSCCCc1nc(-c2cccs2)cs1
InChIInChI=1S/C10H11NS3/c12-5-1-4-10-11-8(7-14-10)9-3-2-6-13-9/h2-3,6-7,12H,1,4-5H2
InChIKeyLZSPKRFNJHOMFY-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 53.73
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

3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968932
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
3-[methyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]amino]propanoic acid
CID 82103529
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012
phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid
CID 175911363
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]ethanethiol
CID 116965991
3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
CID 116969681
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
CID 71778838
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907981

Frequently Asked Questions

What is the IUPAC name of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol?
The IUPAC name of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol (CID 116968907) is 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol.
What is the SMILES notation for 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol?
The canonical SMILES for 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol is SCCCc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol?
The InChIKey is LZSPKRFNJHOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS3/c12-5-1-4-10-11-8(7-14-10)9-3-2-6-13-9/h2-3,6-7,12H,1,4-5H2.
What are the key properties of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol?
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol has a molecular weight of 241.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol is sourced from PubChem (CID 116968907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).