N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine

C13H17N5S — CID 78925763

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCc1nc2sccn2c1CNCCc1cnn(C)c1
InChIInChI=1S/C13H17N5S/c1-10-12(18-5-6-19-13(18)16-10)8-14-4-3-11-7-15-17(2)9-11/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyLQYPXSMMEFTDQH-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.77
Rot. Bonds5

About N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 78925763) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID78925763
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCc1nc2sccn2c1CNCCc1cnn(C)c1
InChIInChI=1S/C13H17N5S/c1-10-12(18-5-6-19-13(18)16-10)8-14-4-3-11-7-15-17(2)9-11/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyLQYPXSMMEFTDQH-UHFFFAOYSA-N
XLogP1.77
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine (CID 78925763) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine is Cc1nc2sccn2c1CNCCc1cnn(C)c1.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is LQYPXSMMEFTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-10-12(18-5-6-19-13(18)16-10)8-14-4-3-11-7-15-17(2)9-11/h5-7,9,14H,3-4,8H2,1-2H3.
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 275.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 78925763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).