[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C14H17N5OS — CID 116666348

IUPAC[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1nc(N)c(C(=O)N2CCN(C)c3ccccc32)s1
InChIInChI=1S/C14H17N5OS/c1-16-14-17-12(15)11(21-14)13(20)19-8-7-18(2)9-5-3-4-6-10(9)19/h3-6H,7-8,15H2,1-2H3,(H,16,17)
InChIKeySHATYSCLPUNMCR-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.86
Rot. Bonds2

About [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 116666348) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID116666348
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1nc(N)c(C(=O)N2CCN(C)c3ccccc32)s1
InChIInChI=1S/C14H17N5OS/c1-16-14-17-12(15)11(21-14)13(20)19-8-7-18(2)9-5-3-4-6-10(9)19/h3-6H,7-8,15H2,1-2H3,(H,16,17)
InChIKeySHATYSCLPUNMCR-UHFFFAOYSA-N
XLogP1.86
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone with MolForge

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Related Compounds

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103504881
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777193
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866
(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777825
[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 81234844
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777015
(2-hydrazinyl-3-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777378

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 116666348) is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CNc1nc(N)c(C(=O)N2CCN(C)c3ccccc32)s1.
What is the InChIKey of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is SHATYSCLPUNMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-16-14-17-12(15)11(21-14)13(20)19-8-7-18(2)9-5-3-4-6-10(9)19/h3-6H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 116666348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).