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

C13H17NOS2 — CID 58112022

IUPAC3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol
SMILESCc1nc(CCc2csc(CCCO)c2)cs1
InChIInChI=1S/C13H17NOS2/c1-10-14-12(9-16-10)5-4-11-7-13(17-8-11)3-2-6-15/h7-9,15H,2-6H2,1H3
InChIKeyADYLRHYISNDMGD-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.22
Rot. Bonds6

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

3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol (PubChem CID 58112022) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol
PubChem CID58112022
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol
SMILESCc1nc(CCc2csc(CCCO)c2)cs1
InChIInChI=1S/C13H17NOS2/c1-10-14-12(9-16-10)5-4-11-7-13(17-8-11)3-2-6-15/h7-9,15H,2-6H2,1H3
InChIKeyADYLRHYISNDMGD-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol?
The IUPAC name of 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol (CID 58112022) is 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol is Cc1nc(CCc2csc(CCCO)c2)cs1.
What is the InChIKey of 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol?
The InChIKey is ADYLRHYISNDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-10-14-12(9-16-10)5-4-11-7-13(17-8-11)3-2-6-15/h7-9,15H,2-6H2,1H3.
What are the key properties of 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol?
3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 58112022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).