N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine

C12H17N3OS2 — CID 107295391

IUPACN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCOc1nc2sccn2c1CNCC1CCSC1
InChIInChI=1S/C12H17N3OS2/c1-16-11-10(15-3-5-18-12(15)14-11)7-13-6-9-2-4-17-8-9/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyXACCARXVNCCOLY-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.25
Rot. Bonds5

About N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine

N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107295391) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107295391
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCOc1nc2sccn2c1CNCC1CCSC1
InChIInChI=1S/C12H17N3OS2/c1-16-11-10(15-3-5-18-12(15)14-11)7-13-6-9-2-4-17-8-9/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyXACCARXVNCCOLY-UHFFFAOYSA-N
XLogP2.25
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclooctanamine
CID 43760152
2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 55064027
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 43758018
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 66090379
3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 43792297
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734020
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63221874
1-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767778

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine (CID 107295391) is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine is COc1nc2sccn2c1CNCC1CCSC1.
What is the InChIKey of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is XACCARXVNCCOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-16-11-10(15-3-5-18-12(15)14-11)7-13-6-9-2-4-17-8-9/h3,5,9,13H,2,4,6-8H2,1H3.
What are the key properties of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine?
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107295391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).