4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

C21H23N5S — CID 1070451

IUPAC4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C21H23N5S/c1-4-25(5-2)17-11-9-16(10-12-17)23-21-24-18(14-27-21)20-15(3)22-19-8-6-7-13-26(19)20/h6-14H,4-5H2,1-3H3,(H,23,24)
InChIKeyKOFAFVNKDXUFHL-UHFFFAOYSA-N
MW377.52 g/mol
LogP5.36
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 1070451) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID1070451
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C21H23N5S/c1-4-25(5-2)17-11-9-16(10-12-17)23-21-24-18(14-27-21)20-15(3)22-19-8-6-7-13-26(19)20/h6-14H,4-5H2,1-3H3,(H,23,24)
InChIKeyKOFAFVNKDXUFHL-UHFFFAOYSA-N
XLogP5.36
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.52
LogP ≤ 55.36
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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Related Compounds

N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine
CID 71680558
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
N'-[4-(2-Amino-4-Methyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N,N-Dimethylbenzene-1,4-Diamine
CID 6539304
[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
Ikk-IN-3
CID 10215156
9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850833
N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 1070451) is 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is CCN(CC)c1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is KOFAFVNKDXUFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-4-25(5-2)17-11-9-16(10-12-17)23-21-24-18(14-27-21)20-15(3)22-19-8-6-7-13-26(19)20/h6-14H,4-5H2,1-3H3,(H,23,24).
What are the key properties of 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 377.52 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 1070451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).