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

C8H9N5OS — CID 65215813

IUPACN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1snnc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C8H9N5OS/c1-2-5(1)9-3-7-11-12-8(14-7)6-4-15-13-10-6/h4-5,9H,1-3H2
InChIKeyKGPOTHFBRWFEEK-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.84
Rot. Bonds4

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

N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 65215813) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID65215813
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1snnc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C8H9N5OS/c1-2-5(1)9-3-7-11-12-8(14-7)6-4-15-13-10-6/h4-5,9H,1-3H2
InChIKeyKGPOTHFBRWFEEK-UHFFFAOYSA-N
XLogP0.84
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-1-amine
CID 65215757
N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 65215812
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
2-methyl-N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
CID 65215920

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 65215813) is N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is c1snnc1-c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is KGPOTHFBRWFEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-2-5(1)9-3-7-11-12-8(14-7)6-4-15-13-10-6/h4-5,9H,1-3H2.
What are the key properties of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 223.26 g/mol, XLogP of 0.84, 4 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]cyclopropanamine is sourced from PubChem (CID 65215813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).