N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine

C13H13N5S — CID 167858712

IUPACN-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CNc2cnc3ccccc3n2)cs1
InChIInChI=1S/C13H13N5S/c1-14-13-17-9(8-19-13)6-16-12-7-15-10-4-2-3-5-11(10)18-12/h2-5,7-8H,6H2,1H3,(H,14,17)(H,16,18)
InChIKeyZCHFIUDIQWWPEB-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.74
Rot. Bonds4

About N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine

N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 167858712) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID167858712
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC NameN-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CNc2cnc3ccccc3n2)cs1
InChIInChI=1S/C13H13N5S/c1-14-13-17-9(8-19-13)6-16-12-7-15-10-4-2-3-5-11(10)18-12/h2-5,7-8H,6H2,1H3,(H,14,17)(H,16,18)
InChIKeyZCHFIUDIQWWPEB-UHFFFAOYSA-N
XLogP2.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 108780009
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 86795914
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 133461292
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959
[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330
N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 130632484
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
CID 47983697
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115589690

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 167858712) is N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine is CNc1nc(CNc2cnc3ccccc3n2)cs1.
What is the InChIKey of N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZCHFIUDIQWWPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-14-13-17-9(8-19-13)6-16-12-7-15-10-4-2-3-5-11(10)18-12/h2-5,7-8H,6H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 167858712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).