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

C13H19N5OS — CID 67334232

IUPACN-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(CN3CCOCC3)cnc2s1)C1CC1
InChIInChI=1S/C13H19N5OS/c1-16(10-2-3-10)13-15-18-11(8-14-12(18)20-13)9-17-4-6-19-7-5-17/h8,10H,2-7,9H2,1H3
InChIKeyNFKUAMQFKKDTQR-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.22
Rot. Bonds4

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

N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67334232) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67334232
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(CN3CCOCC3)cnc2s1)C1CC1
InChIInChI=1S/C13H19N5OS/c1-16(10-2-3-10)13-15-18-11(8-14-12(18)20-13)9-17-4-6-19-7-5-17/h8,10H,2-7,9H2,1H3
InChIKeyNFKUAMQFKKDTQR-UHFFFAOYSA-N
XLogP1.22
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67334232) is N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(c1nn2c(CN3CCOCC3)cnc2s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is NFKUAMQFKKDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-16(10-2-3-10)13-15-18-11(8-14-12(18)20-13)9-17-4-6-19-7-5-17/h8,10H,2-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-cyclopropyl-N-methyl-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 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67334232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).