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

C15H17N3S2 — CID 63813445

IUPACN-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2cccc(C)c2)nc2sccn12
InChIInChI=1S/C15H17N3S2/c1-3-16-10-13-14(17-15-18(13)7-8-19-15)20-12-6-4-5-11(2)9-12/h4-9,16H,3,10H2,1-2H3
InChIKeyQNDGPJABSWFRHP-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.96
Rot. Bonds5

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

N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 63813445) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID63813445
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC NameN-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2cccc(C)c2)nc2sccn12
InChIInChI=1S/C15H17N3S2/c1-3-16-10-13-14(17-15-18(13)7-8-19-15)20-12-6-4-5-11(2)9-12/h4-9,16H,3,10H2,1-2H3
InChIKeyQNDGPJABSWFRHP-UHFFFAOYSA-N
XLogP3.96
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 102926145
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63805833
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892
N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63808415
N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63807247
3-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63808104
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
1-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808078
2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol
CID 170892185
[6-(2,5-dimethylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63806552
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 63813445) is N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is CCNCc1c(Sc2cccc(C)c2)nc2sccn12.
What is the InChIKey of N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is QNDGPJABSWFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-3-16-10-13-14(17-15-18(13)7-8-19-15)20-12-6-4-5-11(2)9-12/h4-9,16H,3,10H2,1-2H3.
What are the key properties of N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 303.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63813445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).