N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide

C14H22N4OS — CID 43625807

IUPACN-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCc1cn2c(CNCCNC(=O)C(C)C)c(C)nc2s1
InChIInChI=1S/C14H22N4OS/c1-9(2)13(19)16-6-5-15-7-12-11(4)17-14-18(12)8-10(3)20-14/h8-9,15H,5-7H2,1-4H3,(H,16,19)
InChIKeyCFMMOVSQUBYHEQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.87
Rot. Bonds6

About N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide

N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide (PubChem CID 43625807) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
PubChem CID43625807
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCc1cn2c(CNCCNC(=O)C(C)C)c(C)nc2s1
InChIInChI=1S/C14H22N4OS/c1-9(2)13(19)16-6-5-15-7-12-11(4)17-14-18(12)8-10(3)20-14/h8-9,15H,5-7H2,1-4H3,(H,16,19)
InChIKeyCFMMOVSQUBYHEQ-UHFFFAOYSA-N
XLogP1.87
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.87
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 N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide (CID 43625807) is N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide is Cc1cn2c(CNCCNC(=O)C(C)C)c(C)nc2s1.
What is the InChIKey of N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide?
The InChIKey is CFMMOVSQUBYHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)13(19)16-6-5-15-7-12-11(4)17-14-18(12)8-10(3)20-14/h8-9,15H,5-7H2,1-4H3,(H,16,19).
What are the key properties of N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide?
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43625807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).