2-(3-methoxypropyl)-1,3-thiazol-4-amine

C7H12N2OS — CID 83108358

IUPAC2-(3-methoxypropyl)-1,3-thiazol-4-amine
SMILESCOCCCc1nc(N)cs1
InChIInChI=1S/C7H12N2OS/c1-10-4-2-3-7-9-6(8)5-11-7/h5H,2-4,8H2,1H3
InChIKeyDUQGOEFOWOUAEL-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.30
Rot. Bonds4

About 2-(3-methoxypropyl)-1,3-thiazol-4-amine

2-(3-methoxypropyl)-1,3-thiazol-4-amine (PubChem CID 83108358) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1,3-thiazol-4-amine
PubChem CID83108358
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-(3-methoxypropyl)-1,3-thiazol-4-amine
SMILESCOCCCc1nc(N)cs1
InChIInChI=1S/C7H12N2OS/c1-10-4-2-3-7-9-6(8)5-11-7/h5H,2-4,8H2,1H3
InChIKeyDUQGOEFOWOUAEL-UHFFFAOYSA-N
XLogP1.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(3-methoxypropyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(3-methoxypropyl)-1,3-thiazol-4-amine (CID 83108358) is 2-(3-methoxypropyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3-methoxypropyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3-methoxypropyl)-1,3-thiazol-4-amine is COCCCc1nc(N)cs1.
What is the InChIKey of 2-(3-methoxypropyl)-1,3-thiazol-4-amine?
The InChIKey is DUQGOEFOWOUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-10-4-2-3-7-9-6(8)5-11-7/h5H,2-4,8H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-1,3-thiazol-4-amine?
2-(3-methoxypropyl)-1,3-thiazol-4-amine has a molecular weight of 172.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 83108358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).