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

C15H17N3S2 — CID 63804515

IUPACN-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1c(Sc2ccccc2)nc2sccn12
InChIInChI=1S/C15H17N3S2/c1-2-8-16-11-13-14(17-15-18(13)9-10-19-15)20-12-6-4-3-5-7-12/h3-7,9-10,16H,2,8,11H2,1H3
InChIKeyFZBROEHKPFZCQQ-UHFFFAOYSA-N
MW303.46 g/mol
LogP4.05
Rot. Bonds6

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

N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (PubChem CID 63804515) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
PubChem CID63804515
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC NameN-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1c(Sc2ccccc2)nc2sccn12
InChIInChI=1S/C15H17N3S2/c1-2-8-16-11-13-14(17-15-18(13)9-10-19-15)20-12-6-4-3-5-7-12/h3-7,9-10,16H,2,8,11H2,1H3
InChIKeyFZBROEHKPFZCQQ-UHFFFAOYSA-N
XLogP4.05
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (CID 63804515) is N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is CCCNCc1c(Sc2ccccc2)nc2sccn12.
What is the InChIKey of N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is FZBROEHKPFZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-2-8-16-11-13-14(17-15-18(13)9-10-19-15)20-12-6-4-3-5-7-12/h3-7,9-10,16H,2,8,11H2,1H3.
What are the key properties of N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 303.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63804515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).