6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol

C14H23N3OS — CID 103924077

IUPAC6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol
SMILESCc1cn2c(CNCCCCCCO)c(C)nc2s1
InChIInChI=1S/C14H23N3OS/c1-11-10-17-13(12(2)16-14(17)19-11)9-15-7-5-3-4-6-8-18/h10,15,18H,3-9H2,1-2H3
InChIKeyMWQPCDBEBBWXCY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.65
Rot. Bonds8

About 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol

6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol (PubChem CID 103924077) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol
PubChem CID103924077
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol
SMILESCc1cn2c(CNCCCCCCO)c(C)nc2s1
InChIInChI=1S/C14H23N3OS/c1-11-10-17-13(12(2)16-14(17)19-11)9-15-7-5-3-4-6-8-18/h10,15,18H,3-9H2,1-2H3
InChIKeyMWQPCDBEBBWXCY-UHFFFAOYSA-N
XLogP2.65
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol (CID 103924077) is 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol is Cc1cn2c(CNCCCCCCO)c(C)nc2s1.
What is the InChIKey of 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol?
The InChIKey is MWQPCDBEBBWXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-10-17-13(12(2)16-14(17)19-11)9-15-7-5-3-4-6-8-18/h10,15,18H,3-9H2,1-2H3.
What are the key properties of 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol?
6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).