4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol

C10H15N3OS — CID 115331674

IUPAC4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
SMILESCC(O)CCNCc1cn2ccsc2n1
InChIInChI=1S/C10H15N3OS/c1-8(14)2-3-11-6-9-7-13-4-5-15-10(13)12-9/h4-5,7-8,11,14H,2-3,6H2,1H3
InChIKeyHARUJDFJVBPMLX-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.26
Rot. Bonds5

About 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol (PubChem CID 115331674) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
PubChem CID115331674
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
SMILESCC(O)CCNCc1cn2ccsc2n1
InChIInChI=1S/C10H15N3OS/c1-8(14)2-3-11-6-9-7-13-4-5-15-10(13)12-9/h4-5,7-8,11,14H,2-3,6H2,1H3
InChIKeyHARUJDFJVBPMLX-UHFFFAOYSA-N
XLogP1.26
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
CID 106160046
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine
CID 114125625
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol?
The IUPAC name of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol (CID 115331674) is 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol.
What is the SMILES notation for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol?
The canonical SMILES for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol is CC(O)CCNCc1cn2ccsc2n1.
What is the InChIKey of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol?
The InChIKey is HARUJDFJVBPMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8(14)2-3-11-6-9-7-13-4-5-15-10(13)12-9/h4-5,7-8,11,14H,2-3,6H2,1H3.
What are the key properties of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol?
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol has a molecular weight of 225.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol is sourced from PubChem (CID 115331674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).