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

C16H24N4S — CID 43778705

IUPAC1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCN(CC)c1ncc(CNc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H24N4S/c1-5-20(6-2)16-18-12-15(21-16)11-17-13-7-9-14(10-8-13)19(3)4/h7-10,12,17H,5-6,11H2,1-4H3
InChIKeyYICUPSSUPNSDJY-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.67
Rot. Bonds7

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

1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43778705) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43778705
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCN(CC)c1ncc(CNc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H24N4S/c1-5-20(6-2)16-18-12-15(21-16)11-17-13-7-9-14(10-8-13)19(3)4/h7-10,12,17H,5-6,11H2,1-4H3
InChIKeyYICUPSSUPNSDJY-UHFFFAOYSA-N
XLogP3.67
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
CID 62810541
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
CID 43770979
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63997522
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
2-[4-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]pyrazol-1-yl]ethanol
CID 110928886
4-N,4-N-diethyl-1-N-[(5-ethylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 62346787
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43758575

Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43778705) is 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CCN(CC)c1ncc(CNc2ccc(N(C)C)cc2)s1.
What is the InChIKey of 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is YICUPSSUPNSDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-20(6-2)16-18-12-15(21-16)11-17-13-7-9-14(10-8-13)19(3)4/h7-10,12,17H,5-6,11H2,1-4H3.
What are the key properties of 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43778705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).