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

C8H13NOS — CID 58018030

IUPAC3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CCCO)c(C)s1
InChIInChI=1S/C8H13NOS/c1-6-8(4-3-5-10)9-7(2)11-6/h10H,3-5H2,1-2H3
InChIKeyFUTDSTOJQBZWQA-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.68
Rot. Bonds3

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

3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol (PubChem CID 58018030) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol
PubChem CID58018030
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CCCO)c(C)s1
InChIInChI=1S/C8H13NOS/c1-6-8(4-3-5-10)9-7(2)11-6/h10H,3-5H2,1-2H3
InChIKeyFUTDSTOJQBZWQA-UHFFFAOYSA-N
XLogP1.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol?
The IUPAC name of 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol (CID 58018030) is 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol is Cc1nc(CCCO)c(C)s1.
What is the InChIKey of 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol?
The InChIKey is FUTDSTOJQBZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6-8(4-3-5-10)9-7(2)11-6/h10H,3-5H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol?
3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol is sourced from PubChem (CID 58018030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).