N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C15H17FN4S — CID 43476388

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNCc1c(N(C)Cc2cccc(F)c2)nc2sccn12
InChIInChI=1S/C15H17FN4S/c1-17-9-13-14(18-15-20(13)6-7-21-15)19(2)10-11-4-3-5-12(16)8-11/h3-8,17H,9-10H2,1-2H3
InChIKeyLVVPPCYEDKYOKJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43476388) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43476388
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNCc1c(N(C)Cc2cccc(F)c2)nc2sccn12
InChIInChI=1S/C15H17FN4S/c1-17-9-13-14(18-15-20(13)6-7-21-15)19(2)10-11-4-3-5-12(16)8-11/h3-8,17H,9-10H2,1-2H3
InChIKeyLVVPPCYEDKYOKJ-UHFFFAOYSA-N
XLogP2.89
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 43476388) is N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CNCc1c(N(C)Cc2cccc(F)c2)nc2sccn12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is LVVPPCYEDKYOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c1-17-9-13-14(18-15-20(13)6-7-21-15)19(2)10-11-4-3-5-12(16)8-11/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 304.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43476388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).