tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate

C12H18N4O3S — CID 107237222

IUPACtert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate
SMILESCOc1nc2sccn2c1CNNC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N4O3S/c1-12(2,3)19-11(17)15-13-7-8-9(18-4)14-10-16(8)5-6-20-10/h5-6,13H,7H2,1-4H3,(H,15,17)
InChIKeyLNDNZRPQWJIXSD-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.93
Rot. Bonds4

About tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate

tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate (PubChem CID 107237222) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate
PubChem CID107237222
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Nametert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate
SMILESCOc1nc2sccn2c1CNNC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N4O3S/c1-12(2,3)19-11(17)15-13-7-8-9(18-4)14-10-16(8)5-6-20-10/h5-6,13H,7H2,1-4H3,(H,15,17)
InChIKeyLNDNZRPQWJIXSD-UHFFFAOYSA-N
XLogP1.93
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767778
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82709719
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
CID 106187628
1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 64681770
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylaniline
CID 43765886
4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 66090379
2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 55064027
2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946403
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-4-amine
CID 83010121

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate?
The IUPAC name of tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate (CID 107237222) is tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate?
The canonical SMILES for tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate is COc1nc2sccn2c1CNNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate?
The InChIKey is LNDNZRPQWJIXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-12(2,3)19-11(17)15-13-7-8-9(18-4)14-10-16(8)5-6-20-10/h5-6,13H,7H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate?
tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate has a molecular weight of 298.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]carbamate is sourced from PubChem (CID 107237222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).