1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol

C8H13NOS — CID 82630324

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCCC(O)c1sc(C)nc1C
InChIInChI=1S/C8H13NOS/c1-4-7(10)8-5(2)9-6(3)11-8/h7,10H,4H2,1-3H3
InChIKeyGBKZVTDXMJLAIV-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.20
Rot. Bonds2

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol

1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 82630324) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
PubChem CID82630324
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCCC(O)c1sc(C)nc1C
InChIInChI=1S/C8H13NOS/c1-4-7(10)8-5(2)9-6(3)11-8/h7,10H,4H2,1-3H3
InChIKeyGBKZVTDXMJLAIV-UHFFFAOYSA-N
XLogP2.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol (CID 82630324) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol is CCC(O)c1sc(C)nc1C.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is GBKZVTDXMJLAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-4-7(10)8-5(2)9-6(3)11-8/h7,10H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol?
1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 82630324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).