2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine

C14H23N3S — CID 113289314

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Cc1cn2ccsc2n1
InChIInChI=1S/C14H23N3S/c1-3-5-12(10-15-6-4-2)9-13-11-17-7-8-18-14(17)16-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyNOUIIMPGSRODFL-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.35
Rot. Bonds8

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine (PubChem CID 113289314) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
PubChem CID113289314
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Cc1cn2ccsc2n1
InChIInChI=1S/C14H23N3S/c1-3-5-12(10-15-6-4-2)9-13-11-17-7-8-18-14(17)16-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyNOUIIMPGSRODFL-UHFFFAOYSA-N
XLogP3.35
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.35
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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Related Compounds

4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115334364
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105174072
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 115332398
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
CID 113289311
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
CID 115334754
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine (CID 113289314) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine is CCCNCC(CCC)Cc1cn2ccsc2n1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine?
The InChIKey is NOUIIMPGSRODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-5-12(10-15-6-4-2)9-13-11-17-7-8-18-14(17)16-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine is sourced from PubChem (CID 113289314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).