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

C8H11N5OS — CID 65216143

IUPACN-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(-c2csnn2)o1
InChIInChI=1S/C8H11N5OS/c1-3-5(9-2)7-11-12-8(14-7)6-4-15-13-10-6/h4-5,9H,3H2,1-2H3
InChIKeyAZEJLEMWLDPGRU-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.26
Rot. Bonds4

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

N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 65216143) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID65216143
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC NameN-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(-c2csnn2)o1
InChIInChI=1S/C8H11N5OS/c1-3-5(9-2)7-11-12-8(14-7)6-4-15-13-10-6/h4-5,9H,3H2,1-2H3
InChIKeyAZEJLEMWLDPGRU-UHFFFAOYSA-N
XLogP1.26
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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 65215866
CID 65215866
CID 65215867
CID 65215867
CID 65215868
CID 65215868
CID 65215919
CID 65215919

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 65216143) is N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(NC)c1nnc(-c2csnn2)o1.
What is the InChIKey of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is AZEJLEMWLDPGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-3-5(9-2)7-11-12-8(14-7)6-4-15-13-10-6/h4-5,9H,3H2,1-2H3.
What are the key properties of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 65216143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).