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

C10H10ClN3OS — CID 106690501

IUPACN-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESClc1occc1-c1nnc(CNC2CC2)s1
InChIInChI=1S/C10H10ClN3OS/c11-9-7(3-4-15-9)10-14-13-8(16-10)5-12-6-1-2-6/h3-4,6,12H,1-2,5H2
InChIKeyRRYNHZIZBCFFRL-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.70
Rot. Bonds4

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

N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 106690501) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID106690501
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC NameN-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESClc1occc1-c1nnc(CNC2CC2)s1
InChIInChI=1S/C10H10ClN3OS/c11-9-7(3-4-15-9)10-14-13-8(16-10)5-12-6-1-2-6/h3-4,6,12H,1-2,5H2
InChIKeyRRYNHZIZBCFFRL-UHFFFAOYSA-N
XLogP2.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 106690501) is N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is Clc1occc1-c1nnc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is RRYNHZIZBCFFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-9-7(3-4-15-9)10-14-13-8(16-10)5-12-6-1-2-6/h3-4,6,12H,1-2,5H2.
What are the key properties of N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 255.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106690501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).