1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol

C17H13N3OS — CID 2998652

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Cc1cn2ccsc2n1
InChIInChI=1S/C17H13N3OS/c21-16-6-5-12-3-1-2-4-14(12)15(16)10-18-9-13-11-20-7-8-22-17(20)19-13/h1-8,10-11,21H,9H2/b18-10+
InChIKeyMTBGZKVOFYWVRS-VCHYOVAHSA-N
MW307.38 g/mol
LogP3.87
Rot. Bonds3

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol (PubChem CID 2998652) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol
PubChem CID2998652
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Cc1cn2ccsc2n1
InChIInChI=1S/C17H13N3OS/c21-16-6-5-12-3-1-2-4-14(12)15(16)10-18-9-13-11-20-7-8-22-17(20)19-13/h1-8,10-11,21H,9H2/b18-10+
InChIKeyMTBGZKVOFYWVRS-VCHYOVAHSA-N
XLogP3.87
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
CID 10775929
3-{5-[(2-Ethyl-6-methylphenyl)amino]imidazo[2,1-b][1,3]thiazol-6-yl}phenol
CID 15988973
2,6-Di-tert-butyl-4-(imidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 13173173
4-(Imidazo[2,1-b]thiazol-6-yl)phenol
CID 3523080
3-(5-Phenylimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 162421373
N'-[(2-hydroxy-1-naphthyl)methylene]-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide
CID 136154049
3-{5-[(2,6-Dimethylphenyl)amino]imidazo[2,1-b][1,3]thiazol-6-yl}phenol
CID 7338327
2-Imidazo[2,1-b][1,3]thiazol-6-ylphenol
CID 10536682
2,6-Ditert-butyl-4-(2-methyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)phenol
CID 13754326
2-[(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]phenol
CID 14801972
4-[(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]phenol
CID 67909226
3-[5-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 89410371

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol (CID 2998652) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/Cc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol?
The InChIKey is MTBGZKVOFYWVRS-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16-6-5-12-3-1-2-4-14(12)15(16)10-18-9-13-11-20-7-8-22-17(20)19-13/h1-8,10-11,21H,9H2/b18-10+.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol has a molecular weight of 307.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 2998652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).