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

C11H11ClN2OS — CID 79774879

IUPAC5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCc2cnc(N)s2)c(Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-7-2-3-10(9(12)4-7)15-6-8-5-14-11(13)16-8/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyUMVGSZKGMNKMQL-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.27
Rot. Bonds3

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

5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79774879) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79774879
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(OCc2cnc(N)s2)c(Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-7-2-3-10(9(12)4-7)15-6-8-5-14-11(13)16-8/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyUMVGSZKGMNKMQL-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79773932
5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774221
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775252
2-(2-chloro-4-methylphenoxy)-1,3-thiazol-5-amine
CID 102769480
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80654623
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774580
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668
1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020493

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine (CID 79774879) is 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine is Cc1ccc(OCc2cnc(N)s2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is UMVGSZKGMNKMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-2-3-10(9(12)4-7)15-6-8-5-14-11(13)16-8/h2-5H,6H2,1H3,(H2,13,14).
What are the key properties of 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine?
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 254.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).