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

C14H18N2OS2 — CID 142334465

IUPAC4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline
SMILESCOCCCc1cnc(-c2ccc(N)c(SC)c2)s1
InChIInChI=1S/C14H18N2OS2/c1-17-7-3-4-11-9-16-14(19-11)10-5-6-12(15)13(8-10)18-2/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeyZABHGJDLZWIMEX-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.69
Rot. Bonds6

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

4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline (PubChem CID 142334465) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline.

Molecular Properties

Compound Name4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline
PubChem CID142334465
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline
SMILESCOCCCc1cnc(-c2ccc(N)c(SC)c2)s1
InChIInChI=1S/C14H18N2OS2/c1-17-7-3-4-11-9-16-14(19-11)10-5-6-12(15)13(8-10)18-2/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeyZABHGJDLZWIMEX-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline?
The IUPAC name of 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline (CID 142334465) is 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline.
What is the SMILES notation for 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline?
The canonical SMILES for 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline is COCCCc1cnc(-c2ccc(N)c(SC)c2)s1.
What is the InChIKey of 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline?
The InChIKey is ZABHGJDLZWIMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-17-7-3-4-11-9-16-14(19-11)10-5-6-12(15)13(8-10)18-2/h5-6,8-9H,3-4,7,15H2,1-2H3.
What are the key properties of 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline?
4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline has a molecular weight of 294.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline is sourced from PubChem (CID 142334465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).