N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine

C15H17N3S — CID 60913625

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCc1c(C)nc2sccn12
InChIInChI=1S/C15H17N3S/c1-11-5-3-4-6-13(11)9-16-10-14-12(2)17-15-18(14)7-8-19-15/h3-8,16H,9-10H2,1-2H3
InChIKeyDLJFLUQIURJRPZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.30
Rot. Bonds4

About N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine (PubChem CID 60913625) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
PubChem CID60913625
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCc1c(C)nc2sccn12
InChIInChI=1S/C15H17N3S/c1-11-5-3-4-6-13(11)9-16-10-14-12(2)17-15-18(14)7-8-19-15/h3-8,16H,9-10H2,1-2H3
InChIKeyDLJFLUQIURJRPZ-UHFFFAOYSA-N
XLogP3.30
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine (CID 60913625) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine is Cc1ccccc1CNCc1c(C)nc2sccn12.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine?
The InChIKey is DLJFLUQIURJRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-5-3-4-6-13(11)9-16-10-14-12(2)17-15-18(14)7-8-19-15/h3-8,16H,9-10H2,1-2H3.
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine has a molecular weight of 271.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 60913625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).