N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C11H10N4S — CID 56995827

IUPACN-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCNc1nn2c(-c3ccccc3)cnc2s1
InChIInChI=1S/C11H10N4S/c1-12-10-14-15-9(7-13-11(15)16-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)
InChIKeyRGWAAMLFAFPAQG-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.50
Rot. Bonds2

About N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 56995827) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID56995827
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC NameN-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCNc1nn2c(-c3ccccc3)cnc2s1
InChIInChI=1S/C11H10N4S/c1-12-10-14-15-9(7-13-11(15)16-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)
InChIKeyRGWAAMLFAFPAQG-UHFFFAOYSA-N
XLogP2.50
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 56995827) is N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CNc1nn2c(-c3ccccc3)cnc2s1.
What is the InChIKey of N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is RGWAAMLFAFPAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-12-10-14-15-9(7-13-11(15)16-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14).
What are the key properties of N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 230.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 56995827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).