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

C13H15ClN2S — CID 62065914

IUPAC5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H15ClN2S/c1-3-11-12(17-13(15)16-11)7-9-5-4-8(2)6-10(9)14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyYOQCIVIRNVOEJT-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.84
Rot. Bonds3

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

5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 62065914) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID62065914
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H15ClN2S/c1-3-11-12(17-13(15)16-11)7-9-5-4-8(2)6-10(9)14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyYOQCIVIRNVOEJT-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62065561
5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 55130707
5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 62065198
5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 103481119
2-[(2-amino-4-ethyl-1,3-thiazol-5-yl)methyl]-5-bromobenzonitrile
CID 82703457
4-[(2-amino-4-ethyl-1,3-thiazol-5-yl)methyl]-3-bromobenzonitrile
CID 114002062
5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637240
4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066653
5-[(2-bromo-4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81275594
5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 62065567
2-[(2-amino-4-ethyl-1,3-thiazol-5-yl)methyl]benzonitrile
CID 62065746
4-[(2-amino-4-ethyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)benzonitrile
CID 62066863

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 62065914) is 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1ccc(C)cc1Cl.
What is the InChIKey of 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is YOQCIVIRNVOEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-3-11-12(17-13(15)16-11)7-9-5-4-8(2)6-10(9)14/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).