3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline

C14H16BrClN2OS — CID 63752106

IUPAC3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H16BrClN2OS/c1-7-14(20-9(3)17-7)8(2)18-12-6-10(16)5-11(15)13(12)19-4/h5-6,8,18H,1-4H3
InChIKeyCEZUQFQTMRKRCY-UHFFFAOYSA-N
MW375.72 g/mol
LogP5.36
Rot. Bonds4

About 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline

3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline (PubChem CID 63752106) has the molecular formula C14H16BrClN2OS and a molecular weight of 375.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline
PubChem CID63752106
Molecular FormulaC14H16BrClN2OS
Molecular Weight375.72 g/mol
Exact Mass373.99
IUPAC Name3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H16BrClN2OS/c1-7-14(20-9(3)17-7)8(2)18-12-6-10(16)5-11(15)13(12)19-4/h5-6,8,18H,1-4H3
InChIKeyCEZUQFQTMRKRCY-UHFFFAOYSA-N
XLogP5.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.72
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-2-(difluoromethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43691096
3-bromo-5-chloro-2-(difluoromethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43691105
3-bromo-5-chloro-2-(difluoromethoxy)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43782733
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248914
3-bromo-5-chloro-2-(difluoromethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941904
3-bromo-5-chloro-2-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 60981949
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169651
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759630
3-bromo-5-chloro-2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993269
3-bromo-5-chloro-2-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 65720154
3-bromo-5-chloro-2-(difluoromethoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]aniline
CID 65724897
3-bromo-5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(difluoromethoxy)aniline
CID 104879413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline (CID 63752106) is 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline is COc1c(Br)cc(Cl)cc1NC(C)c1sc(C)nc1C.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline?
The InChIKey is CEZUQFQTMRKRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2OS/c1-7-14(20-9(3)17-7)8(2)18-12-6-10(16)5-11(15)13(12)19-4/h5-6,8,18H,1-4H3.
What are the key properties of 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline?
3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline has a molecular weight of 375.72 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 63752106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).