6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H17N3OS — CID 63983441

IUPAC6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCC(C)(C)N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C12H17N3OS/c1-5-12(2,3)14(4)10-9(8-16)15-6-7-17-11(15)13-10/h6-8H,5H2,1-4H3
InChIKeySRTPISFRTRUZSF-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.83
Rot. Bonds4

About 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 63983441) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID63983441
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCC(C)(C)N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C12H17N3OS/c1-5-12(2,3)14(4)10-9(8-16)15-6-7-17-11(15)13-10/h6-8H,5H2,1-4H3
InChIKeySRTPISFRTRUZSF-UHFFFAOYSA-N
XLogP2.83
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681
N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
CID 61451158
2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 63983643
6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63009269
2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
CID 43475589
6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61418584
6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505
6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61422494
2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
CID 55003155
6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61411478
6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55005275

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 63983441) is 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCC(C)(C)N(C)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is SRTPISFRTRUZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-12(2,3)14(4)10-9(8-16)15-6-7-17-11(15)13-10/h6-8H,5H2,1-4H3.
What are the key properties of 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 251.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 63983441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).