1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

C14H17N5S2 — CID 63819682

IUPAC1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(Sc2nccc(C)n2)nc2sccn12
InChIInChI=1S/C14H17N5S2/c1-3-10(15)8-11-12(18-14-19(11)6-7-20-14)21-13-16-5-4-9(2)17-13/h4-7,10H,3,8,15H2,1-2H3
InChIKeyMUXKQQRBBZJSGM-UHFFFAOYSA-N
MW319.46 g/mol
LogP2.93
Rot. Bonds5

About 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (PubChem CID 63819682) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
PubChem CID63819682
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(Sc2nccc(C)n2)nc2sccn12
InChIInChI=1S/C14H17N5S2/c1-3-10(15)8-11-12(18-14-19(11)6-7-20-14)21-13-16-5-4-9(2)17-13/h4-7,10H,3,8,15H2,1-2H3
InChIKeyMUXKQQRBBZJSGM-UHFFFAOYSA-N
XLogP2.93
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55234864
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63805833
1-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808078
1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine
CID 63817974
1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 79183887
1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820287
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809988
1-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63785740
5-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63816546
3-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63817826
1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63815377
1-[6-(1-methyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820444

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (CID 63819682) is 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is CCC(N)Cc1c(Sc2nccc(C)n2)nc2sccn12.
What is the InChIKey of 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The InChIKey is MUXKQQRBBZJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-3-10(15)8-11-12(18-14-19(11)6-7-20-14)21-13-16-5-4-9(2)17-13/h4-7,10H,3,8,15H2,1-2H3.
What are the key properties of 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine has a molecular weight of 319.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63819682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).