4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine

C14H18N2OS2 — CID 43250574

IUPAC4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1cccc(OCCCSc2sc(N)nc2C)c1
InChIInChI=1S/C14H18N2OS2/c1-10-5-3-6-12(9-10)17-7-4-8-18-13-11(2)16-14(15)19-13/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,16)
InChIKeyPQGRNNKMKATXTF-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.90
Rot. Bonds6

About 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine

4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43250574) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43250574
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1cccc(OCCCSc2sc(N)nc2C)c1
InChIInChI=1S/C14H18N2OS2/c1-10-5-3-6-12(9-10)17-7-4-8-18-13-11(2)16-14(15)19-13/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,16)
InChIKeyPQGRNNKMKATXTF-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250718
3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine
CID 106679289
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[3-(3-methylphenyl)sulfanylpropoxy]aniline
CID 61243243
5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine
CID 28857046
5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 24690122
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 61483393
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 29006653
4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
CID 43129559
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
CID 40663342
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine (CID 43250574) is 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine is Cc1cccc(OCCCSc2sc(N)nc2C)c1.
What is the InChIKey of 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is PQGRNNKMKATXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-10-5-3-6-12(9-10)17-7-4-8-18-13-11(2)16-14(15)19-13/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine?
4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 294.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43250574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).