4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C14H18BrN3S — CID 54883288

IUPAC4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCCc1ncc(CNc2cc(Br)ccc2N(C)C)s1
InChIInChI=1S/C14H18BrN3S/c1-4-14-17-9-11(19-14)8-16-12-7-10(15)5-6-13(12)18(2)3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyUNUBVRWOBWHMSE-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.15
Rot. Bonds5

About 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 54883288) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID54883288
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCCc1ncc(CNc2cc(Br)ccc2N(C)C)s1
InChIInChI=1S/C14H18BrN3S/c1-4-14-17-9-11(19-14)8-16-12-7-10(15)5-6-13(12)18(2)3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyUNUBVRWOBWHMSE-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine with MolForge

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Related Compounds

4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746316
2-bromo-4-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 81263663
2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 54883090
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
4-bromo-1-N,1-N-dimethyl-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43231807
4-bromo-1-N,1-N-dimethyl-2-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzene-1,2-diamine
CID 62742848
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
CID 113268236
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 54883288) is 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CCc1ncc(CNc2cc(Br)ccc2N(C)C)s1.
What is the InChIKey of 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is UNUBVRWOBWHMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-4-14-17-9-11(19-14)8-16-12-7-10(15)5-6-13(12)18(2)3/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 340.29 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 54883288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).