3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine

C13H13N5S — CID 102986205

IUPAC3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine
SMILESCc1nc(Nc2nc3ccccc3nc2N)sc1C
InChIInChI=1S/C13H13N5S/c1-7-8(2)19-13(15-7)18-12-11(14)16-9-5-3-4-6-10(9)17-12/h3-6H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyHKDHTBBMOZVSIM-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.03
Rot. Bonds2

About 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine

3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine (PubChem CID 102986205) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine
PubChem CID102986205
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine
SMILESCc1nc(Nc2nc3ccccc3nc2N)sc1C
InChIInChI=1S/C13H13N5S/c1-7-8(2)19-13(15-7)18-12-11(14)16-9-5-3-4-6-10(9)17-12/h3-6H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyHKDHTBBMOZVSIM-UHFFFAOYSA-N
XLogP3.03
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 23477554
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149673
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149615
6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545833
3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
CID 102986358
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine
CID 80652908
4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid
CID 64622289

Frequently Asked Questions

What is the IUPAC name of 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine (CID 102986205) is 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine is Cc1nc(Nc2nc3ccccc3nc2N)sc1C.
What is the InChIKey of 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine?
The InChIKey is HKDHTBBMOZVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-7-8(2)19-13(15-7)18-12-11(14)16-9-5-3-4-6-10(9)17-12/h3-6H,1-2H3,(H2,14,16)(H,15,17,18).
What are the key properties of 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine?
3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine has a molecular weight of 271.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102986205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).