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

C12H13N5S2 — CID 63805833

IUPACN-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(Sc2ncccn2)nc2sccn12
InChIInChI=1S/C12H13N5S2/c1-2-13-8-9-10(16-12-17(9)6-7-18-12)19-11-14-4-3-5-15-11/h3-7,13H,2,8H2,1H3
InChIKeyFQFUJLXELLBDFI-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.45
Rot. Bonds5

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

N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 63805833) has the molecular formula C12H13N5S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID63805833
Molecular FormulaC12H13N5S2
Molecular Weight291.40 g/mol
Exact Mass291.06
IUPAC NameN-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(Sc2ncccn2)nc2sccn12
InChIInChI=1S/C12H13N5S2/c1-2-13-8-9-10(16-12-17(9)6-7-18-12)19-11-14-4-3-5-15-11/h3-7,13H,2,8H2,1H3
InChIKeyFQFUJLXELLBDFI-UHFFFAOYSA-N
XLogP2.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63813445
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 102926145
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-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
1-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808078
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63812837
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
2-methyl-N-[(6-thiophen-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63804994
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

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 63805833) is N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is CCNCc1c(Sc2ncccn2)nc2sccn12.
What is the InChIKey of N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is FQFUJLXELLBDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-2-13-8-9-10(16-12-17(9)6-7-18-12)19-11-14-4-3-5-15-11/h3-7,13H,2,8H2,1H3.
What are the key properties of N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 291.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63805833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).