N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H19N5OS — CID 67334233

IUPACN-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1c(CN2CCOCC2)nc2sc(NCC3CC3)nn12
InChIInChI=1S/C13H19N5OS/c1-2-10(1)7-14-12-16-18-9-11(15-13(18)20-12)8-17-3-5-19-6-4-17/h9-10H,1-8H2,(H,14,16)
InChIKeyHNDGGBFXJVBDAE-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.44
Rot. Bonds5

About N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67334233) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67334233
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1c(CN2CCOCC2)nc2sc(NCC3CC3)nn12
InChIInChI=1S/C13H19N5OS/c1-2-10(1)7-14-12-16-18-9-11(15-13(18)20-12)8-17-3-5-19-6-4-17/h9-10H,1-8H2,(H,14,16)
InChIKeyHNDGGBFXJVBDAE-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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67334233) is N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1c(CN2CCOCC2)nc2sc(NCC3CC3)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is HNDGGBFXJVBDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-10(1)7-14-12-16-18-9-11(15-13(18)20-12)8-17-3-5-19-6-4-17/h9-10H,1-8H2,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(cyclopropylmethyl)-6-(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)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67334233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).