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

C11H19N3OS — CID 80623515

IUPACN-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESCCCCCOc1nnc(CNC2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-2-3-4-7-15-11-14-13-10(16-11)8-12-9-5-6-9/h9,12H,2-8H2,1H3
InChIKeySSLPNFJIOCOIJY-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.36
Rot. Bonds8

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

N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (PubChem CID 80623515) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
PubChem CID80623515
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESCCCCCOc1nnc(CNC2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-2-3-4-7-15-11-14-13-10(16-11)8-12-9-5-6-9/h9,12H,2-8H2,1H3
InChIKeySSLPNFJIOCOIJY-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620686
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80624088
N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80624660
N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82007108
N-[[5-(4,4,4-trifluorobutoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 82791587
N-[[5-(4,4,4-trifluorobutoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 82792181
N-[[5-(4,4,4-trifluorobutoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82792984
N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82957135
3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 65208453
N-[[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 65705275
N-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 65705872
N-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 65706077

Frequently Asked Questions

What is the IUPAC name of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (CID 80623515) is N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is CCCCCOc1nnc(CNC2CC2)s1.
What is the InChIKey of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is SSLPNFJIOCOIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-3-4-7-15-11-14-13-10(16-11)8-12-9-5-6-9/h9,12H,2-8H2,1H3.
What are the key properties of N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 241.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 80623515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).