N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

C9H13N3S2 — CID 63813892

IUPACN-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(SC)nc2sccn12
InChIInChI=1S/C9H13N3S2/c1-3-10-6-7-8(13-2)11-9-12(7)4-5-14-9/h4-5,10H,3,6H2,1-2H3
InChIKeyCGSBQZGXFODLRI-UHFFFAOYSA-N
MW227.36 g/mol
LogP2.23
Rot. Bonds4

About N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 63813892) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID63813892
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC NameN-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(SC)nc2sccn12
InChIInChI=1S/C9H13N3S2/c1-3-10-6-7-8(13-2)11-9-12(7)4-5-14-9/h4-5,10H,3,6H2,1-2H3
InChIKeyCGSBQZGXFODLRI-UHFFFAOYSA-N
XLogP2.23
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63808415
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63805833
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 102926145
N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63813445
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
3-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63808104
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63806411
N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 62349710
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476403
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 63813892) is N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is CCNCc1c(SC)nc2sccn12.
What is the InChIKey of N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is CGSBQZGXFODLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/c1-3-10-6-7-8(13-2)11-9-12(7)4-5-14-9/h4-5,10H,3,6H2,1-2H3.
What are the key properties of N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 227.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63813892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).