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

C13H12N4S — CID 47292925

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
SMILESCc1nc(CNc2cnc3ccccc3n2)cs1
InChIInChI=1S/C13H12N4S/c1-9-16-10(8-18-9)6-15-13-7-14-11-4-2-3-5-12(11)17-13/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyPPAXRTYRGHBEDI-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.01
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine (PubChem CID 47292925) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
PubChem CID47292925
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
SMILESCc1nc(CNc2cnc3ccccc3n2)cs1
InChIInChI=1S/C13H12N4S/c1-9-16-10(8-18-9)6-15-13-7-14-11-4-2-3-5-12(11)17-13/h2-5,7-8H,6H2,1H3,(H,15,17)
InChIKeyPPAXRTYRGHBEDI-UHFFFAOYSA-N
XLogP3.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 167858712
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-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine
CID 55214545
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115735816
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
CID 107357241
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807957

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine (CID 47292925) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine is Cc1nc(CNc2cnc3ccccc3n2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
The InChIKey is PPAXRTYRGHBEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-16-10(8-18-9)6-15-13-7-14-11-4-2-3-5-12(11)17-13/h2-5,7-8H,6H2,1H3,(H,15,17).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 47292925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).