2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine

C17H23ClN2S — CID 105015930

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)c1cccc(C)c1Cl
InChIInChI=1S/C17H23ClN2S/c1-11-7-6-8-12(16(11)18)13(19-5)9-15-20-14(10-21-15)17(2,3)4/h6-8,10,13,19H,9H2,1-5H3
InChIKeyJYHHFVPTMIWVIO-UHFFFAOYSA-N
MW322.91 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine (PubChem CID 105015930) has the molecular formula C17H23ClN2S and a molecular weight of 322.91 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
PubChem CID105015930
Molecular FormulaC17H23ClN2S
Molecular Weight322.91 g/mol
Exact Mass322.13
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)c1cccc(C)c1Cl
InChIInChI=1S/C17H23ClN2S/c1-11-7-6-8-12(16(11)18)13(19-5)9-15-20-14(10-21-15)17(2,3)4/h6-8,10,13,19H,9H2,1-5H3
InChIKeyJYHHFVPTMIWVIO-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79820357
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105015883
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorophenyl)ethyl]hydrazine
CID 105210972
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946408
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169633
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 105016055
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorofuran-3-yl)ethyl]hydrazine
CID 106694611
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 61332341
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
[1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324660
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine (CID 105015930) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine is CNC(Cc1nc(C(C)(C)C)cs1)c1cccc(C)c1Cl.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
The InChIKey is JYHHFVPTMIWVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S/c1-11-7-6-8-12(16(11)18)13(19-5)9-15-20-14(10-21-15)17(2,3)4/h6-8,10,13,19H,9H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine has a molecular weight of 322.91 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105015930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).