N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine

C13H12N4S — CID 166378482

IUPACN-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine
SMILESC[C@@H](Nc1cnc2ccccc2n1)c1cncs1
InChIInChI=1S/C13H12N4S/c1-9(12-6-14-8-18-12)16-13-7-15-10-4-2-3-5-11(10)17-13/h2-9H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMLWXAWJGYQCPCC-SECBINFHSA-N
MW256.33 g/mol
LogP3.26
Rot. Bonds3

About N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine

N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine (PubChem CID 166378482) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine
PubChem CID166378482
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine
SMILESC[C@@H](Nc1cnc2ccccc2n1)c1cncs1
InChIInChI=1S/C13H12N4S/c1-9(12-6-14-8-18-12)16-13-7-15-10-4-2-3-5-11(10)17-13/h2-9H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMLWXAWJGYQCPCC-SECBINFHSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916957
N-[1-(5-methylthiophen-2-yl)ethyl]quinoxalin-2-amine
CID 47371005
N-(1-pyridin-4-ylethyl)quinoxalin-2-amine
CID 55024904
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916459
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxalin-2-amine
CID 164640206
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 99802719
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-8-amine
CID 113354954
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine
CID 115925880
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine (CID 166378482) is N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine is C[C@@H](Nc1cnc2ccccc2n1)c1cncs1.
What is the InChIKey of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine?
The InChIKey is MLWXAWJGYQCPCC-SECBINFHSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9(12-6-14-8-18-12)16-13-7-15-10-4-2-3-5-11(10)17-13/h2-9H,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine?
N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 166378482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).