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

C11H17N3S2 — CID 63808415

IUPACN-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(SC(C)C)nc2sccn12
InChIInChI=1S/C11H17N3S2/c1-4-12-7-9-10(16-8(2)3)13-11-14(9)5-6-15-11/h5-6,8,12H,4,7H2,1-3H3
InChIKeyXCVSBJYIOVSZQE-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.01
Rot. Bonds5

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

N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 63808415) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID63808415
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC NameN-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(SC(C)C)nc2sccn12
InChIInChI=1S/C11H17N3S2/c1-4-12-7-9-10(16-8(2)3)13-11-14(9)5-6-15-11/h5-6,8,12H,4,7H2,1-3H3
InChIKeyXCVSBJYIOVSZQE-UHFFFAOYSA-N
XLogP3.01
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892
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
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 107761552
N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63806411
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-[[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

Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 63808415) is N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is CCNCc1c(SC(C)C)nc2sccn12.
What is the InChIKey of N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is XCVSBJYIOVSZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-4-12-7-9-10(16-8(2)3)13-11-14(9)5-6-15-11/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 255.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63808415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).