N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine

C16H25N3S2 — CID 63814081

IUPACN-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1c(SCC2CCCC2)nc2sccn12
InChIInChI=1S/C16H25N3S2/c1-16(2,3)17-10-13-14(18-15-19(13)8-9-20-15)21-11-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyQJRUGYKXTVNDGE-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.57
Rot. Bonds5

About N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63814081) has the molecular formula C16H25N3S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID63814081
Molecular FormulaC16H25N3S2
Molecular Weight323.53 g/mol
Exact Mass323.15
IUPAC NameN-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1c(SCC2CCCC2)nc2sccn12
InChIInChI=1S/C16H25N3S2/c1-16(2,3)17-10-13-14(18-15-19(13)8-9-20-15)21-11-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyQJRUGYKXTVNDGE-UHFFFAOYSA-N
XLogP4.57
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
CID 63809975
5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63071904
ethyl 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylacetate
CID 63809270
2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 107761552
2-methyl-N-[(6-thiophen-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63804994
2-methyl-N-[[6-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63059960
2-methyl-N-[[6-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63058722
2-methyl-N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63070369
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062
5-[(tert-butylamino)methyl]-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55148570
2-methyl-N-[(6-morpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63059424
2-methyl-N-[[6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63070767

Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 63814081) is N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1c(SCC2CCCC2)nc2sccn12.
What is the InChIKey of N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QJRUGYKXTVNDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S2/c1-16(2,3)17-10-13-14(18-15-19(13)8-9-20-15)21-11-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 323.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopentylmethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63814081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).