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

C10H17NOS — CID 22014270

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol
SMILESCc1nc(C)c(CCCCCO)s1
InChIInChI=1S/C10H17NOS/c1-8-10(13-9(2)11-8)6-4-3-5-7-12/h12H,3-7H2,1-2H3
InChIKeyQQPGRNFIKGQAOS-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.47
Rot. Bonds5

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

5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol (PubChem CID 22014270) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol
PubChem CID22014270
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol
SMILESCc1nc(C)c(CCCCCO)s1
InChIInChI=1S/C10H17NOS/c1-8-10(13-9(2)11-8)6-4-3-5-7-12/h12H,3-7H2,1-2H3
InChIKeyQQPGRNFIKGQAOS-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.47
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 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol (CID 22014270) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol is Cc1nc(C)c(CCCCCO)s1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol?
The InChIKey is QQPGRNFIKGQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8-10(13-9(2)11-8)6-4-3-5-7-12/h12H,3-7H2,1-2H3.
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol?
5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazol-5-yl)pentan-1-ol is sourced from PubChem (CID 22014270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).