2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine

C16H22N2OS — CID 82426105

IUPAC2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccc(C)c(OCc2nc(C)c(C(C)(C)N)s2)c1
InChIInChI=1S/C16H22N2OS/c1-10-6-7-11(2)13(8-10)19-9-14-18-12(3)15(20-14)16(4,5)17/h6-8H,9,17H2,1-5H3
InChIKeySYEJLNYMVKKYSD-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.84
Rot. Bonds4

About 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82426105) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82426105
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccc(C)c(OCc2nc(C)c(C(C)(C)N)s2)c1
InChIInChI=1S/C16H22N2OS/c1-10-6-7-11(2)13(8-10)19-9-14-18-12(3)15(20-14)16(4,5)17/h6-8H,9,17H2,1-5H3
InChIKeySYEJLNYMVKKYSD-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82428956
[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440498
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
1-[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440494
2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46741197
2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 46741195
[2-[(2,5-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82431911
[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82302284
(2,5-dimethylphenoxy)methanamine
CID 89376053
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine (CID 82426105) is 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine is Cc1ccc(C)c(OCc2nc(C)c(C(C)(C)N)s2)c1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is SYEJLNYMVKKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-6-7-11(2)13(8-10)19-9-14-18-12(3)15(20-14)16(4,5)17/h6-8H,9,17H2,1-5H3.
What are the key properties of 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82426105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).