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

C14H19N5S2 — CID 63809866

IUPACN-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cc(Sc2nc3sccn3c2CNC(C)C)n(C)n1
InChIInChI=1S/C14H19N5S2/c1-9(2)15-8-11-13(16-14-19(11)5-6-20-14)21-12-7-10(3)17-18(12)4/h5-7,9,15H,8H2,1-4H3
InChIKeyOFIGFEMLBZEQPT-UHFFFAOYSA-N
MW321.48 g/mol
LogP3.09
Rot. Bonds5

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

N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (PubChem CID 63809866) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
PubChem CID63809866
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC NameN-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cc(Sc2nc3sccn3c2CNC(C)C)n(C)n1
InChIInChI=1S/C14H19N5S2/c1-9(2)15-8-11-13(16-14-19(11)5-6-20-14)21-12-7-10(3)17-18(12)4/h5-7,9,15H,8H2,1-4H3
InChIKeyOFIGFEMLBZEQPT-UHFFFAOYSA-N
XLogP3.09
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (CID 63809866) is N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is Cc1cc(Sc2nc3sccn3c2CNC(C)C)n(C)n1.
What is the InChIKey of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is OFIGFEMLBZEQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-9(2)15-8-11-13(16-14-19(11)5-6-20-14)21-12-7-10(3)17-18(12)4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 321.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63809866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).