4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

C14H19N3S — CID 43670343

IUPAC4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESCc1nc(C(C)Nc2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C14H19N3S/c1-10(14-9-18-11(2)16-14)15-12-5-7-13(8-6-12)17(3)4/h5-10,15H,1-4H3
InChIKeyBQYBMZGRDYNJGN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.69
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (PubChem CID 43670343) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
PubChem CID43670343
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESCc1nc(C(C)Nc2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C14H19N3S/c1-10(14-9-18-11(2)16-14)15-12-5-7-13(8-6-12)17(3)4/h5-10,15H,1-4H3
InChIKeyBQYBMZGRDYNJGN-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
2,2-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxol-5-amine
CID 43676344
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 51885246
4-bromo-1-N,1-N-dimethyl-2-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 43746306
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (CID 43670343) is 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is Cc1nc(C(C)Nc2ccc(N(C)C)cc2)cs1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The InChIKey is BQYBMZGRDYNJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(14-9-18-11(2)16-14)15-12-5-7-13(8-6-12)17(3)4/h5-10,15H,1-4H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 43670343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).