[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

C14H18N2OS — CID 65093679

IUPAC[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCOCCCc1nc(CN)c(-c2ccccc2)s1
InChIInChI=1S/C14H18N2OS/c1-17-9-5-8-13-16-12(10-15)14(18-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,15H2,1H3
InChIKeyUFXPINMURAGMFX-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.85
Rot. Bonds6

About [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 65093679) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID65093679
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCOCCCc1nc(CN)c(-c2ccccc2)s1
InChIInChI=1S/C14H18N2OS/c1-17-9-5-8-13-16-12(10-15)14(18-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,15H2,1H3
InChIKeyUFXPINMURAGMFX-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.85
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)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 65093679) is [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is COCCCc1nc(CN)c(-c2ccccc2)s1.
What is the InChIKey of [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is UFXPINMURAGMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-17-9-5-8-13-16-12(10-15)14(18-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,15H2,1H3.
What are the key properties of [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 65093679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).