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

C8H11N5OS — CID 65215757

IUPACN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2csnn2)o1
InChIInChI=1S/C8H11N5OS/c1-2-3-9-4-7-11-12-8(14-7)6-5-15-13-10-6/h5,9H,2-4H2,1H3
InChIKeyKLBXGYUVTFKLOV-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.09
Rot. Bonds5

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

N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 65215757) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID65215757
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC NameN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2csnn2)o1
InChIInChI=1S/C8H11N5OS/c1-2-3-9-4-7-11-12-8(14-7)6-5-15-13-10-6/h5,9H,2-4H2,1H3
InChIKeyKLBXGYUVTFKLOV-UHFFFAOYSA-N
XLogP1.09
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
CID 130634291
1-[5-(Thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65215754
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 65215755
N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 65215756
N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 65215812
N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65215813
2-methyl-N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 65215814
N-methyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215815
N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215866
N-propyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215867
N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215868
N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 65215919

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 65215757) is N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(-c2csnn2)o1.
What is the InChIKey of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is KLBXGYUVTFKLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-2-3-9-4-7-11-12-8(14-7)6-5-15-13-10-6/h5,9H,2-4H2,1H3.
What are the key properties of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65215757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).