2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol

C9H15NOS2 — CID 115659723

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
SMILESCCc1nc(CSC(C)CO)cs1
InChIInChI=1S/C9H15NOS2/c1-3-9-10-8(6-13-9)5-12-7(2)4-11/h6-7,11H,3-5H2,1-2H3
InChIKeySVLAYJMCFABLNB-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.32
Rot. Bonds5

About 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol

2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol (PubChem CID 115659723) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
PubChem CID115659723
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
SMILESCCc1nc(CSC(C)CO)cs1
InChIInChI=1S/C9H15NOS2/c1-3-9-10-8(6-13-9)5-12-7(2)4-11/h6-7,11H,3-5H2,1-2H3
InChIKeySVLAYJMCFABLNB-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
CID 115644894
(2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 97059760
2-amino-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 60929744
(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate
CID 65211790
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
CID 115866596
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine
CID 66244562

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol (CID 115659723) is 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol is CCc1nc(CSC(C)CO)cs1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
The InChIKey is SVLAYJMCFABLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-3-9-10-8(6-13-9)5-12-7(2)4-11/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol has a molecular weight of 217.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 115659723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).