N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C17H19N5O2S — CID 72847648

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESNc1nc(CCCNC(=O)CCc2nc3ccccc3[nH]c2=O)cs1
InChIInChI=1S/C17H19N5O2S/c18-17-20-11(10-25-17)4-3-9-19-15(23)8-7-14-16(24)22-13-6-2-1-5-12(13)21-14/h1-2,5-6,10H,3-4,7-9H2,(H2,18,20)(H,19,23)(H,22,24)
InChIKeyYYHVKSCTHYJFSI-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.64
Rot. Bonds7

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 72847648) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID72847648
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESNc1nc(CCCNC(=O)CCc2nc3ccccc3[nH]c2=O)cs1
InChIInChI=1S/C17H19N5O2S/c18-17-20-11(10-25-17)4-3-9-19-15(23)8-7-14-16(24)22-13-6-2-1-5-12(13)21-14/h1-2,5-6,10H,3-4,7-9H2,(H2,18,20)(H,19,23)(H,22,24)
InChIKeyYYHVKSCTHYJFSI-UHFFFAOYSA-N
XLogP1.64
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108725415
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91832585
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 72925671
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742410
N-(1H-indol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110673247
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742757
3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742100
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110671148
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108727285
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 72847648) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is Nc1nc(CCCNC(=O)CCc2nc3ccccc3[nH]c2=O)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is YYHVKSCTHYJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c18-17-20-11(10-25-17)4-3-9-19-15(23)8-7-14-16(24)22-13-6-2-1-5-12(13)21-14/h1-2,5-6,10H,3-4,7-9H2,(H2,18,20)(H,19,23)(H,22,24).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 357.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 72847648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).