2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol

C10H10ClNOS2 — CID 115089104

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H10ClNOS2/c1-6(4-13)7-5-14-10(12-7)8-2-3-9(11)15-8/h2-3,5-6,13H,4H2,1H3
InChIKeyKYPXYGGBYHQPCS-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.62
Rot. Bonds3

About 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 115089104) has the molecular formula C10H10ClNOS2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID115089104
Molecular FormulaC10H10ClNOS2
Molecular Weight259.78 g/mol
Exact Mass258.99
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H10ClNOS2/c1-6(4-13)7-5-14-10(12-7)8-2-3-9(11)15-8/h2-3,5-6,13H,4H2,1H3
InChIKeyKYPXYGGBYHQPCS-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol (CID 115089104) is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol is CC(CO)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is KYPXYGGBYHQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS2/c1-6(4-13)7-5-14-10(12-7)8-2-3-9(11)15-8/h2-3,5-6,13H,4H2,1H3.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol?
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 259.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 115089104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).