N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H19N5OS — CID 25235316

IUPACN-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1nc2sc(NCC3CC3)nn2c1CN1CCOCC1
InChIInChI=1S/C13H19N5OS/c1-2-10(1)7-14-12-16-18-11(8-15-13(18)20-12)9-17-3-5-19-6-4-17/h8,10H,1-7,9H2,(H,14,16)
InChIKeyDDDUOINJEICOML-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.44
Rot. Bonds5

About N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 25235316) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID25235316
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1nc2sc(NCC3CC3)nn2c1CN1CCOCC1
InChIInChI=1S/C13H19N5OS/c1-2-10(1)7-14-12-16-18-11(8-15-13(18)20-12)9-17-3-5-19-6-4-17/h8,10H,1-7,9H2,(H,14,16)
InChIKeyDDDUOINJEICOML-UHFFFAOYSA-N
XLogP1.44
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine 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-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 25235316) is N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1nc2sc(NCC3CC3)nn2c1CN1CCOCC1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is DDDUOINJEICOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-10(1)7-14-12-16-18-11(8-15-13(18)20-12)9-17-3-5-19-6-4-17/h8,10H,1-7,9H2,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 293.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 25235316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).