4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine

C14H18N2OS — CID 20983664

IUPAC4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1c(C)cc(C)cc1-c1nc(N)sc1C
InChIInChI=1S/C14H18N2OS/c1-5-17-13-9(3)6-8(2)7-11(13)12-10(4)18-14(15)16-12/h6-7H,5H2,1-4H3,(H2,15,16)
InChIKeyHPULLDBLGLCXHF-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.72
Rot. Bonds3

About 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine

4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 20983664) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID20983664
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1c(C)cc(C)cc1-c1nc(N)sc1C
InChIInChI=1S/C14H18N2OS/c1-5-17-13-9(3)6-8(2)7-11(13)12-10(4)18-14(15)16-12/h6-7H,5H2,1-4H3,(H2,15,16)
InChIKeyHPULLDBLGLCXHF-UHFFFAOYSA-N
XLogP3.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (CID 20983664) is 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is CCOc1c(C)cc(C)cc1-c1nc(N)sc1C.
What is the InChIKey of 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is HPULLDBLGLCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-5-17-13-9(3)6-8(2)7-11(13)12-10(4)18-14(15)16-12/h6-7H,5H2,1-4H3,(H2,15,16).
What are the key properties of 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 20983664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).