N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine

C16H19N3S2 — CID 63805227

IUPACN-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1c(SCc2ccccc2)nc2sccn12
InChIInChI=1S/C16H19N3S2/c1-12(2)17-10-14-15(18-16-19(14)8-9-20-16)21-11-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyWEGOXRKVMDFFJK-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.19
Rot. Bonds6

About N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine

N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine (PubChem CID 63805227) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
PubChem CID63805227
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC NameN-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1c(SCc2ccccc2)nc2sccn12
InChIInChI=1S/C16H19N3S2/c1-12(2)17-10-14-15(18-16-19(14)8-9-20-16)21-11-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyWEGOXRKVMDFFJK-UHFFFAOYSA-N
XLogP4.19
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43476542
N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63807247
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476692
2-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
CID 63809912
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63809866
(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
CID 104922935
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63806411
N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63808415
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
1-(2-chlorophenyl)-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 24594113
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986359

Frequently Asked Questions

What is the IUPAC name of N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine (CID 63805227) is N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1c(SCc2ccccc2)nc2sccn12.
What is the InChIKey of N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is WEGOXRKVMDFFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-12(2)17-10-14-15(18-16-19(14)8-9-20-16)21-11-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 317.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 63805227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).