4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine

C12H13ClN2OS — CID 82092682

IUPAC4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1cc(Cl)ccc1OCCc1csc(N)n1
InChIInChI=1S/C12H13ClN2OS/c1-8-6-9(13)2-3-11(8)16-5-4-10-7-17-12(14)15-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15)
InChIKeyCCCRXZXKWOSMTJ-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.31
Rot. Bonds4

About 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine

4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 82092682) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID82092682
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1cc(Cl)ccc1OCCc1csc(N)n1
InChIInChI=1S/C12H13ClN2OS/c1-8-6-9(13)2-3-11(8)16-5-4-10-7-17-12(14)15-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15)
InChIKeyCCCRXZXKWOSMTJ-UHFFFAOYSA-N
XLogP3.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 110718005
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 91597758
[4-[3-(4-chloro-2-methylphenoxy)propoxy]phenyl]methanamine
CID 43531205
4-[2-(4-chloro-2-methylphenoxy)ethylsulfanyl]aniline
CID 39403149
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354110
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine (CID 82092682) is 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine is Cc1cc(Cl)ccc1OCCc1csc(N)n1.
What is the InChIKey of 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CCCRXZXKWOSMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-8-6-9(13)2-3-11(8)16-5-4-10-7-17-12(14)15-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15).
What are the key properties of 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine?
4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 268.77 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82092682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).