N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

C14H17ClN2OS — CID 62544682

IUPACN-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C14H17ClN2OS/c1-10-14(11-4-3-5-12(15)8-11)17-13(19-10)9-16-6-7-18-2/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeyWNHMBCOBKDQGBU-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.51
Rot. Bonds6

About N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 62544682) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID62544682
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C14H17ClN2OS/c1-10-14(11-4-3-5-12(15)8-11)17-13(19-10)9-16-6-7-18-2/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeyWNHMBCOBKDQGBU-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (CID 62544682) is N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(-c2cccc(Cl)c2)c(C)s1.
What is the InChIKey of N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is WNHMBCOBKDQGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-10-14(11-4-3-5-12(15)8-11)17-13(19-10)9-16-6-7-18-2/h3-5,8,16H,6-7,9H2,1-2H3.
What are the key properties of N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62544682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).