4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol

C8H13NOS — CID 145485610

IUPAC4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncc(CCCCO)s1
InChIInChI=1S/C8H13NOS/c1-7-9-6-8(11-7)4-2-3-5-10/h6,10H,2-5H2,1H3
InChIKeyOVBWIJXTOOWICW-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.77
Rot. Bonds4

About 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol

4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol (PubChem CID 145485610) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol
PubChem CID145485610
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncc(CCCCO)s1
InChIInChI=1S/C8H13NOS/c1-7-9-6-8(11-7)4-2-3-5-10/h6,10H,2-5H2,1H3
InChIKeyOVBWIJXTOOWICW-UHFFFAOYSA-N
XLogP1.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol?
The IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol (CID 145485610) is 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol is Cc1ncc(CCCCO)s1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol?
The InChIKey is OVBWIJXTOOWICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-7-9-6-8(11-7)4-2-3-5-10/h6,10H,2-5H2,1H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol?
4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 145485610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).