3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol

C12H15NOS3 — CID 113244476

IUPAC3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H15NOS3/c1-8(14)9(2)16-6-11-7-17-12(13-11)10-3-4-15-5-10/h3-5,7-9,14H,6H2,1-2H3
InChIKeyBIOPDZHPYFKJIA-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.87
Rot. Bonds5

About 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol

3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol (PubChem CID 113244476) has the molecular formula C12H15NOS3 and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
PubChem CID113244476
Molecular FormulaC12H15NOS3
Molecular Weight285.46 g/mol
Exact Mass285.03
IUPAC Name3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H15NOS3/c1-8(14)9(2)16-6-11-7-17-12(13-11)10-3-4-15-5-10/h3-5,7-9,14H,6H2,1-2H3
InChIKeyBIOPDZHPYFKJIA-UHFFFAOYSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol with MolForge

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Related Compounds

2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241284
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 66104721
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
CID 111469884
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8751448
N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111579179
4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 115686479
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391

Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol?
The IUPAC name of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol (CID 113244476) is 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol is CC(O)C(C)SCc1csc(-c2ccsc2)n1.
What is the InChIKey of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol?
The InChIKey is BIOPDZHPYFKJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS3/c1-8(14)9(2)16-6-11-7-17-12(13-11)10-3-4-15-5-10/h3-5,7-9,14H,6H2,1-2H3.
What are the key properties of 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol?
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol has a molecular weight of 285.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol is sourced from PubChem (CID 113244476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).