2-(3-methoxypropyl)-1,3-thiazole

C7H11NOS — CID 59275945

IUPAC2-(3-methoxypropyl)-1,3-thiazole
SMILESCOCCCc1nccs1
InChIInChI=1S/C7H11NOS/c1-9-5-2-3-7-8-4-6-10-7/h4,6H,2-3,5H2,1H3
InChIKeyHKPVSUDMBQWBBY-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.72
Rot. Bonds4

About 2-(3-methoxypropyl)-1,3-thiazole

2-(3-methoxypropyl)-1,3-thiazole (PubChem CID 59275945) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1,3-thiazole
PubChem CID59275945
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(3-methoxypropyl)-1,3-thiazole
SMILESCOCCCc1nccs1
InChIInChI=1S/C7H11NOS/c1-9-5-2-3-7-8-4-6-10-7/h4,6H,2-3,5H2,1H3
InChIKeyHKPVSUDMBQWBBY-UHFFFAOYSA-N
XLogP1.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Isobutylthiazole
CID 62725
2-Ethylthiazole
CID 85053
2-(1-Methylpropyl)thiazole
CID 519539
2-Ethoxythiazole
CID 61809
2-Propylthiazole
CID 87198
2-Butylthiazole
CID 3015925
2-(Sec-Butyl)Thiazole
CID 5289510
2-Pentylthiazole
CID 22150015
2-Methoxythiazole
CID 575451
2-(Tert-butyl)thiazole
CID 580980
2-(1,3-Thiazol-2-yl)ethan-1-ol
CID 10034657
2-Isopropylthiazole
CID 85054

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1,3-thiazole?
The IUPAC name of 2-(3-methoxypropyl)-1,3-thiazole (CID 59275945) is 2-(3-methoxypropyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxypropyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methoxypropyl)-1,3-thiazole is COCCCc1nccs1.
What is the InChIKey of 2-(3-methoxypropyl)-1,3-thiazole?
The InChIKey is HKPVSUDMBQWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-9-5-2-3-7-8-4-6-10-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-1,3-thiazole?
2-(3-methoxypropyl)-1,3-thiazole has a molecular weight of 157.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1,3-thiazole is sourced from PubChem (CID 59275945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).