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

C13H15N3S2 — CID 43763585

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCc1nc2sccn2c1CNCCc1cccs1
InChIInChI=1S/C13H15N3S2/c1-10-12(16-6-8-18-13(16)15-10)9-14-5-4-11-3-2-7-17-11/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyXFQUPXBUSNGVEM-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.10
Rot. Bonds5

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

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 43763585) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID43763585
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCc1nc2sccn2c1CNCCc1cccs1
InChIInChI=1S/C13H15N3S2/c1-10-12(16-6-8-18-13(16)15-10)9-14-5-4-11-3-2-7-17-11/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyXFQUPXBUSNGVEM-UHFFFAOYSA-N
XLogP3.10
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.10
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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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 61460056
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
N-methyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43527744
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60913625
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768
5,5,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115491280
methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
CID 54920768
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 60781391
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834214

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine (CID 43763585) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine is Cc1nc2sccn2c1CNCCc1cccs1.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is XFQUPXBUSNGVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-10-12(16-6-8-18-13(16)15-10)9-14-5-4-11-3-2-7-17-11/h2-3,6-8,14H,4-5,9H2,1H3.
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 277.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-thiophen-2-ylethanamine is sourced from PubChem (CID 43763585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).