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

C11H13N3OS — CID 114823813

IUPACN-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(-c2nnc(CNC3CC3)s2)co1
InChIInChI=1S/C11H13N3OS/c1-7-4-8(6-15-7)11-14-13-10(16-11)5-12-9-2-3-9/h4,6,9,12H,2-3,5H2,1H3
InChIKeyFSQNHDVZOCDBMV-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.36
Rot. Bonds4

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

N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 114823813) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID114823813
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(-c2nnc(CNC3CC3)s2)co1
InChIInChI=1S/C11H13N3OS/c1-7-4-8(6-15-7)11-14-13-10(16-11)5-12-9-2-3-9/h4,6,9,12H,2-3,5H2,1H3
InChIKeyFSQNHDVZOCDBMV-UHFFFAOYSA-N
XLogP2.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 114823813) is N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is Cc1cc(-c2nnc(CNC3CC3)s2)co1.
What is the InChIKey of N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is FSQNHDVZOCDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-4-8(6-15-7)11-14-13-10(16-11)5-12-9-2-3-9/h4,6,9,12H,2-3,5H2,1H3.
What are the key properties of N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 235.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114823813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).