1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine

C18H22N4S2 — CID 1068711

IUPAC1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1
InChIInChI=1S/C18H22N4S2/c1-5-22(6-2)15-9-7-14(8-10-15)20-18-21-16(11-23-18)17-12(3)19-13(4)24-17/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyHEZIMVKQSJBIPG-UHFFFAOYSA-N
MW358.54 g/mol
LogP5.47
Rot. Bonds6

About 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine

1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 1068711) has the molecular formula C18H22N4S2 and a molecular weight of 358.54 g/mol. Its IUPAC name is 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID1068711
Molecular FormulaC18H22N4S2
Molecular Weight358.54 g/mol
Exact Mass358.13
IUPAC Name1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1
InChIInChI=1S/C18H22N4S2/c1-5-22(6-2)15-9-7-14(8-10-15)20-18-21-16(11-23-18)17-12(3)19-13(4)24-17/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyHEZIMVKQSJBIPG-UHFFFAOYSA-N
XLogP5.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine (CID 1068711) is 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1.
What is the InChIKey of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is HEZIMVKQSJBIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S2/c1-5-22(6-2)15-9-7-14(8-10-15)20-18-21-16(11-23-18)17-12(3)19-13(4)24-17/h7-11H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 358.54 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 1068711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).