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

C9H13N5OS — CID 65215866

IUPACN-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C9H13N5OS/c1-2-10-5-3-4-8-12-13-9(15-8)7-6-16-14-11-7/h6,10H,2-5H2,1H3
InChIKeyNVWOLWBEGUMTRS-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.13
Rot. Bonds6

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

N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 65215866) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID65215866
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC NameN-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C9H13N5OS/c1-2-10-5-3-4-8-12-13-9(15-8)7-6-16-14-11-7/h6,10H,2-5H2,1H3
InChIKeyNVWOLWBEGUMTRS-UHFFFAOYSA-N
XLogP1.13
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.13
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

CID 65215754
CID 65215754
CID 65215755
CID 65215755
CID 65215756
CID 65215756
CID 65215757
CID 65215757
CID 65215812
CID 65215812
CID 65215813
CID 65215813
CID 65215814
CID 65215814
CID 65215815
CID 65215815
CID 65215867
CID 65215867
CID 65215868
CID 65215868
CID 65215919
CID 65215919
CID 65215920
CID 65215920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 65215866) is N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNCCCc1nnc(-c2csnn2)o1.
What is the InChIKey of N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is NVWOLWBEGUMTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-2-10-5-3-4-8-12-13-9(15-8)7-6-16-14-11-7/h6,10H,2-5H2,1H3.
What are the key properties of N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 239.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 65215866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).