N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine

C15H17N5S — CID 104615846

IUPACN-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2cccc3nccnc23)s1
InChIInChI=1S/C15H17N5S/c1-10(2)16-7-6-13-19-20-15(21-13)11-4-3-5-12-14(11)18-9-8-17-12/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyPFULOCHSYWFCKZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine

N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine (PubChem CID 104615846) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
PubChem CID104615846
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2cccc3nccnc23)s1
InChIInChI=1S/C15H17N5S/c1-10(2)16-7-6-13-19-20-15(21-13)11-4-3-5-12-14(11)18-9-8-17-12/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyPFULOCHSYWFCKZ-UHFFFAOYSA-N
XLogP2.69
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloroethyl)-5-quinoxalin-5-yl-1,3,4-thiadiazole
CID 113433279
N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104615841
2-methyl-3-[5-[3-(propan-2-ylamino)propyl]-1,3,4-thiadiazol-2-yl]phenol
CID 82830189
N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 107942038
3-[5-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 107101157
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[[5-(3-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 81263084
N-[2-[5-(3,3-dimethylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 114212947
N-[3-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 81480568
N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 79996871
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434
3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 104672993

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine (CID 104615846) is N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine is CC(C)NCCc1nnc(-c2cccc3nccnc23)s1.
What is the InChIKey of N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is PFULOCHSYWFCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10(2)16-7-6-13-19-20-15(21-13)11-4-3-5-12-14(11)18-9-8-17-12/h3-5,8-10,16H,6-7H2,1-2H3.
What are the key properties of N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 299.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 104615846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).