N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C14H21N3OS — CID 115334368

IUPACN-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cn3ccsc3n2)CCOC1
InChIInChI=1S/C14H21N3OS/c1-2-4-15-10-14(3-6-18-11-14)8-12-9-17-5-7-19-13(17)16-12/h5,7,9,15H,2-4,6,8,10-11H2,1H3
InChIKeyIAINXFVQSZYFMO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.34
Rot. Bonds6

About N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 115334368) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID115334368
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cn3ccsc3n2)CCOC1
InChIInChI=1S/C14H21N3OS/c1-2-4-15-10-14(3-6-18-11-14)8-12-9-17-5-7-19-13(17)16-12/h5,7,9,15H,2-4,6,8,10-11H2,1H3
InChIKeyIAINXFVQSZYFMO-UHFFFAOYSA-N
XLogP2.34
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.34
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-[[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 115334374
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
CID 113289332
N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 114107943
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
[1-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 103966368
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719558
1-(4-ethoxyoxan-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 116754112
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 115334368) is N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(Cc2cn3ccsc3n2)CCOC1.
What is the InChIKey of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is IAINXFVQSZYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-4-15-10-14(3-6-18-11-14)8-12-9-17-5-7-19-13(17)16-12/h5,7,9,15H,2-4,6,8,10-11H2,1H3.
What are the key properties of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 115334368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).