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

C14H19N3S — CID 55034636

IUPAC1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCc1nc(CNc2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C14H19N3S/c1-4-14-16-12(10-18-14)9-15-11-5-7-13(8-6-11)17(2)3/h5-8,10,15H,4,9H2,1-3H3
InChIKeyRGBUQYJATQMHQK-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.38
Rot. Bonds5

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

1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 55034636) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID55034636
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCc1nc(CNc2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C14H19N3S/c1-4-14-16-12(10-18-14)9-15-11-5-7-13(8-6-11)17(2)3/h5-8,10,15H,4,9H2,1-3H3
InChIKeyRGBUQYJATQMHQK-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.38
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-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 60727721
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 60727503
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-fluoroaniline
CID 115280365
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
CID 107266062
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazol-4-amine
CID 78921412
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline
CID 60727820
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 95293677
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride
CID 115592208
2,4,5-trichloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 62070827
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107644497
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699387

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 55034636) is 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CCc1nc(CNc2ccc(N(C)C)cc2)cs1.
What is the InChIKey of 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is RGBUQYJATQMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-14-16-12(10-18-14)9-15-11-5-7-13(8-6-11)17(2)3/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 55034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).