4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine

C13H15ClN2OS — CID 55025921

IUPAC4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C13H15ClN2OS/c1-9-12(10-4-3-5-11(14)8-10)16-13(18-9)15-6-7-17-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyTUMRUAMMEAZVMY-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.83
Rot. Bonds5

About 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine

4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 55025921) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID55025921
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C13H15ClN2OS/c1-9-12(10-4-3-5-11(14)8-10)16-13(18-9)15-6-7-17-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyTUMRUAMMEAZVMY-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
4-(4-Chlorophenyl)-N-2-propen-1-yl-2-thiazolamine
CID 2131650
[4-(4-Chloro-phenyl)-thiazol-2-yl]-ethyl-amine
CID 646058
5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 4027576
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 331171
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2468349
4-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)morpholine
CID 55355450
2-methoxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 734097
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (2-methoxy-ethyl)-amide
CID 3223723
4-(3-Chlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 734605
4-(2-Chlorophenyl)-5-methylthiazol-2-ylamine
CID 44385578
4-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 4883716

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine (CID 55025921) is 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine is COCCNc1nc(-c2cccc(Cl)c2)c(C)s1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is TUMRUAMMEAZVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-9-12(10-4-3-5-11(14)8-10)16-13(18-9)15-6-7-17-2/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine?
4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 282.80 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55025921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).