N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

C10H15N3S — CID 129450888

IUPACN-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc2sc(C)cn12
InChIInChI=1S/C10H15N3S/c1-3-4-11-5-9-6-12-10-13(9)7-8(2)14-10/h6-7,11H,3-5H2,1-2H3
InChIKeyDDFFZBZGUKNQHV-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.20
Rot. Bonds4

About N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (PubChem CID 129450888) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
PubChem CID129450888
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc2sc(C)cn12
InChIInChI=1S/C10H15N3S/c1-3-4-11-5-9-6-12-10-13(9)7-8(2)14-10/h6-7,11H,3-5H2,1-2H3
InChIKeyDDFFZBZGUKNQHV-UHFFFAOYSA-N
XLogP2.20
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (CID 129450888) is N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is CCCNCc1cnc2sc(C)cn12.
What is the InChIKey of N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is DDFFZBZGUKNQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-4-11-5-9-6-12-10-13(9)7-8(2)14-10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 209.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 129450888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).