5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine

C20H19N5O3S — CID 24986814

IUPAC5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
SMILESCOc1cc(Nc2nc(N)c(-c3cnc4ccccc4n3)s2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O3S/c1-26-15-8-11(9-16(27-2)17(15)28-3)23-20-25-19(21)18(29-20)14-10-22-12-6-4-5-7-13(12)24-14/h4-10H,21H2,1-3H3,(H,23,25)
InChIKeyQSXFNNTZFVBNLD-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.10
Rot. Bonds6

About 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine

5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine (PubChem CID 24986814) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
PubChem CID24986814
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
SMILESCOc1cc(Nc2nc(N)c(-c3cnc4ccccc4n3)s2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O3S/c1-26-15-8-11(9-16(27-2)17(15)28-3)23-20-25-19(21)18(29-20)14-10-22-12-6-4-5-7-13(12)24-14/h4-10H,21H2,1-3H3,(H,23,25)
InChIKeyQSXFNNTZFVBNLD-UHFFFAOYSA-N
XLogP4.10
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 22993936
5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357966
5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21358001
1-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methylurea
CID 22994071
methyl 4-[[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]carbamoyl]benzoate
CID 21358073
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-fluorobenzamide
CID 22993990
3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 21357839
5-[4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357979
5-[3-(5-amino-2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 22994068
1-phenylethyl N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]carbamate
CID 21357795
N-(3,4,5-trimethoxyphenyl)quinolin-2-amine
CID 57393025
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-1H-benzimidazole-5-carboxamide
CID 135796505

Frequently Asked Questions

What is the IUPAC name of 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine (CID 24986814) is 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine is COc1cc(Nc2nc(N)c(-c3cnc4ccccc4n3)s2)cc(OC)c1OC.
What is the InChIKey of 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The InChIKey is QSXFNNTZFVBNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-26-15-8-11(9-16(27-2)17(15)28-3)23-20-25-19(21)18(29-20)14-10-22-12-6-4-5-7-13(12)24-14/h4-10H,21H2,1-3H3,(H,23,25).
What are the key properties of 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine has a molecular weight of 409.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinoxalin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 24986814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).