N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C10H11N5S4 — CID 115383874

IUPACN-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCNCc1c(Sc2nnc(SC)s2)nc2sccn12
InChIInChI=1S/C10H11N5S4/c1-11-5-6-7(12-8-15(6)3-4-17-8)18-10-14-13-9(16-2)19-10/h3-4,11H,5H2,1-2H3
InChIKeyJUZGKJOGBZEEFB-UHFFFAOYSA-N
MW329.50 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 115383874) has the molecular formula C10H11N5S4 and a molecular weight of 329.50 g/mol. Its IUPAC name is N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID115383874
Molecular FormulaC10H11N5S4
Molecular Weight329.50 g/mol
Exact Mass328.99
IUPAC NameN-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCNCc1c(Sc2nnc(SC)s2)nc2sccn12
InChIInChI=1S/C10H11N5S4/c1-11-5-6-7(12-8-15(6)3-4-17-8)18-10-14-13-9(16-2)19-10/h3-4,11H,5H2,1-2H3
InChIKeyJUZGKJOGBZEEFB-UHFFFAOYSA-N
XLogP2.84
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 115383874) is N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CNCc1c(Sc2nnc(SC)s2)nc2sccn12.
What is the InChIKey of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is JUZGKJOGBZEEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S4/c1-11-5-6-7(12-8-15(6)3-4-17-8)18-10-14-13-9(16-2)19-10/h3-4,11H,5H2,1-2H3.
What are the key properties of N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 329.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 115383874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).