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

C10H15N5OS — CID 174619063

IUPACN-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCNc1nn2c(CN3CCOCC3)cnc2s1
InChIInChI=1S/C10H15N5OS/c1-11-9-13-15-8(6-12-10(15)17-9)7-14-2-4-16-5-3-14/h6H,2-5,7H2,1H3,(H,11,13)
InChIKeyRCQSMSZCYIWBEA-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.66
Rot. Bonds3

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

N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 174619063) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID174619063
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCNc1nn2c(CN3CCOCC3)cnc2s1
InChIInChI=1S/C10H15N5OS/c1-11-9-13-15-8(6-12-10(15)17-9)7-14-2-4-16-5-3-14/h6H,2-5,7H2,1H3,(H,11,13)
InChIKeyRCQSMSZCYIWBEA-UHFFFAOYSA-N
XLogP0.66
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 174619063) is N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CNc1nn2c(CN3CCOCC3)cnc2s1.
What is the InChIKey of N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is RCQSMSZCYIWBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-11-9-13-15-8(6-12-10(15)17-9)7-14-2-4-16-5-3-14/h6H,2-5,7H2,1H3,(H,11,13).
What are the key properties of N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 174619063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).