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

C14H23N3S2 — CID 63806411

IUPACN-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(SC(C)(C)C)nc2sccn12
InChIInChI=1S/C14H23N3S2/c1-10(2)8-15-9-11-12(19-14(3,4)5)16-13-17(11)6-7-18-13/h6-7,10,15H,8-9H2,1-5H3
InChIKeyJCIDKKXSKJQQQQ-UHFFFAOYSA-N
MW297.49 g/mol
LogP4.03
Rot. Bonds5

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

N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63806411) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID63806411
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC NameN-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(SC(C)(C)C)nc2sccn12
InChIInChI=1S/C14H23N3S2/c1-10(2)8-15-9-11-12(19-14(3,4)5)16-13-17(11)6-7-18-13/h6-7,10,15H,8-9H2,1-5H3
InChIKeyJCIDKKXSKJQQQQ-UHFFFAOYSA-N
XLogP4.03
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 63813355
N-[(6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63808415
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63071941
2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 107761552
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 63058784
2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 63059665
N-[[6-(2-ethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63069814
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63805833
2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
CID 63809975

Frequently Asked Questions

What is the IUPAC name of N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 63806411) is N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1c(SC(C)(C)C)nc2sccn12.
What is the InChIKey of N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is JCIDKKXSKJQQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-10(2)8-15-9-11-12(19-14(3,4)5)16-13-17(11)6-7-18-13/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63806411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).