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

C15H19N3O2S — CID 80624253

IUPACN-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCOCCc1ccc(Oc2nnc(CNC3CC3)s2)cc1
InChIInChI=1S/C15H19N3O2S/c1-19-9-8-11-2-6-13(7-3-11)20-15-18-17-14(21-15)10-16-12-4-5-12/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyONBQZKKBYWSDNG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.77
Rot. Bonds8

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

N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 80624253) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID80624253
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCOCCc1ccc(Oc2nnc(CNC3CC3)s2)cc1
InChIInChI=1S/C15H19N3O2S/c1-19-9-8-11-2-6-13(7-3-11)20-15-18-17-14(21-15)10-16-12-4-5-12/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyONBQZKKBYWSDNG-UHFFFAOYSA-N
XLogP2.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623634
N-[[5-(2-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620035
N-[[5-[3-(trifluoromethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623438
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 80623515
N-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80620284
1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80620937
N-[[5-(4-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624212
N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
CID 79627246
N-[[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623297
3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole
CID 133424742
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623934
2-(chloromethyl)-5-(4-propylphenoxy)-1,3,4-thiadiazole
CID 80618865

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 80624253) is N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is COCCc1ccc(Oc2nnc(CNC3CC3)s2)cc1.
What is the InChIKey of N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ONBQZKKBYWSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-19-9-8-11-2-6-13(7-3-11)20-15-18-17-14(21-15)10-16-12-4-5-12/h2-3,6-7,12,16H,4-5,8-10H2,1H3.
What are the key properties of N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 305.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80624253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).