5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

C14H18N2S — CID 82054603

IUPAC5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCc1ccc(Cc2sc(NC)nc2C)cc1
InChIInChI=1S/C14H18N2S/c1-4-11-5-7-12(8-6-11)9-13-10(2)16-14(15-3)17-13/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyGMIVIKPUAHPRNE-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.65
Rot. Bonds4

About 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 82054603) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID82054603
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCc1ccc(Cc2sc(NC)nc2C)cc1
InChIInChI=1S/C14H18N2S/c1-4-11-5-7-12(8-6-11)9-13-10(2)16-14(15-3)17-13/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyGMIVIKPUAHPRNE-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 93202790
5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054555
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 43836410
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
CID 121122937
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
CID 110428303
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 82054603) is 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is CCc1ccc(Cc2sc(NC)nc2C)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is GMIVIKPUAHPRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-11-5-7-12(8-6-11)9-13-10(2)16-14(15-3)17-13/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82054603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).