N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine

C14H19N5S — CID 43773790

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCCn1ccnc1
InChIInChI=1S/C14H19N5S/c1-11-9-20-14-17-12(2)13(19(11)14)8-15-4-3-6-18-7-5-16-10-18/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyAXCVGWSSEKMMEH-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.39
Rot. Bonds6

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 43773790) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID43773790
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCCn1ccnc1
InChIInChI=1S/C14H19N5S/c1-11-9-20-14-17-12(2)13(19(11)14)8-15-4-3-6-18-7-5-16-10-18/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyAXCVGWSSEKMMEH-UHFFFAOYSA-N
XLogP2.39
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.39
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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Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43769657
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770874
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
3-(cyclopropylmethoxy)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770760
2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43773804
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28833138
N-[(4-bromothiophen-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61067220
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
CID 60976809

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 43773790) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine is Cc1nc2scc(C)n2c1CNCCCn1ccnc1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is AXCVGWSSEKMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-11-9-20-14-17-12(2)13(19(11)14)8-15-4-3-6-18-7-5-16-10-18/h5,7,9-10,15H,3-4,6,8H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 289.41 g/mol, XLogP of 2.39, 6 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]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 43773790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).