N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine

C15H21N5S — CID 115989287

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C15H21N5S/c1-5-13-12(8-19(4)18-13)6-16-7-14-11(3)17-15-20(14)10(2)9-21-15/h8-9,16H,5-7H2,1-4H3
InChIKeyFKIWIQRSMUCUMU-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.60
Rot. Bonds5

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 115989287) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID115989287
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C15H21N5S/c1-5-13-12(8-19(4)18-13)6-16-7-14-11(3)17-15-20(14)10(2)9-21-15/h8-9,16H,5-7H2,1-4H3
InChIKeyFKIWIQRSMUCUMU-UHFFFAOYSA-N
XLogP2.60
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (CID 115989287) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)cc1CNCc1c(C)nc2scc(C)n12.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is FKIWIQRSMUCUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-5-13-12(8-19(4)18-13)6-16-7-14-11(3)17-15-20(14)10(2)9-21-15/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 303.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115989287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).