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

C15H16BrN3S2 — CID 63807247

IUPACN-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Sc2cccc(Br)c2)nc2sccn12
InChIInChI=1S/C15H16BrN3S2/c1-10(2)17-9-13-14(18-15-19(13)6-7-20-15)21-12-5-3-4-11(16)8-12/h3-8,10,17H,9H2,1-2H3
InChIKeySCUPRUPBQWPGHH-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.81
Rot. Bonds5

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

N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (PubChem CID 63807247) has the molecular formula C15H16BrN3S2 and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
PubChem CID63807247
Molecular FormulaC15H16BrN3S2
Molecular Weight382.35 g/mol
Exact Mass381.00
IUPAC NameN-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Sc2cccc(Br)c2)nc2sccn12
InChIInChI=1S/C15H16BrN3S2/c1-10(2)17-9-13-14(18-15-19(13)6-7-20-15)21-12-5-3-4-11(16)8-12/h3-8,10,17H,9H2,1-2H3
InChIKeySCUPRUPBQWPGHH-UHFFFAOYSA-N
XLogP4.81
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (CID 63807247) is N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1c(Sc2cccc(Br)c2)nc2sccn12.
What is the InChIKey of N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is SCUPRUPBQWPGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S2/c1-10(2)17-9-13-14(18-15-19(13)6-7-20-15)21-12-5-3-4-11(16)8-12/h3-8,10,17H,9H2,1-2H3.
What are the key properties of N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 382.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63807247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).