1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

C14H16ClIN2S — CID 103215960

IUPAC1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H16ClIN2S/c1-8-9(2)19-14(18-8)7-13(17-3)10-4-5-12(16)11(15)6-10/h4-6,13,17H,7H2,1-3H3
InChIKeyVUROEGXTKPEHPM-UHFFFAOYSA-N
MW406.72 g/mol
LogP4.52
Rot. Bonds4

About 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 103215960) has the molecular formula C14H16ClIN2S and a molecular weight of 406.72 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID103215960
Molecular FormulaC14H16ClIN2S
Molecular Weight406.72 g/mol
Exact Mass405.98
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H16ClIN2S/c1-8-9(2)19-14(18-8)7-13(17-3)10-4-5-12(16)11(15)6-10/h4-6,13,17H,7H2,1-3H3
InChIKeyVUROEGXTKPEHPM-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.72
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
1-(3-chloro-4-iodophenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 103214976
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019704
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019626
1-(3-chloro-4-iodophenyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106866324
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848898
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019983
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
1-(3-chloro-4-iodophenyl)-N-methylbut-3-yn-1-amine
CID 103214490
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103406934
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 103214822
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (CID 103215960) is 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is CNC(Cc1nc(C)c(C)s1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is VUROEGXTKPEHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClIN2S/c1-8-9(2)19-14(18-8)7-13(17-3)10-4-5-12(16)11(15)6-10/h4-6,13,17H,7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 406.72 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 103215960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).