3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile

C10H12N4S — CID 43771524

IUPAC3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
SMILESCc1nc2sccn2c1CNCCC#N
InChIInChI=1S/C10H12N4S/c1-8-9(7-12-4-2-3-11)14-5-6-15-10(14)13-8/h5-6,12H,2,4,7H2,1H3
InChIKeyQRURLJLVLJLDOJ-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.71
Rot. Bonds4

About 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile

3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile (PubChem CID 43771524) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
PubChem CID43771524
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
SMILESCc1nc2sccn2c1CNCCC#N
InChIInChI=1S/C10H12N4S/c1-8-9(7-12-4-2-3-11)14-5-6-15-10(14)13-8/h5-6,12H,2,4,7H2,1H3
InChIKeyQRURLJLVLJLDOJ-UHFFFAOYSA-N
XLogP1.71
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.71
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',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 61460056
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
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585
2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992617
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062
1-[[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 63221875
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735955

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile?
The IUPAC name of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile (CID 43771524) is 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile.
What is the SMILES notation for 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile?
The canonical SMILES for 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile is Cc1nc2sccn2c1CNCCC#N.
What is the InChIKey of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile?
The InChIKey is QRURLJLVLJLDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-8-9(7-12-4-2-3-11)14-5-6-15-10(14)13-8/h5-6,12H,2,4,7H2,1H3.
What are the key properties of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile?
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile has a molecular weight of 220.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile is sourced from PubChem (CID 43771524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).