N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine

C11H16FN3S — CID 115733056

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine
SMILESCc1cn2c(CNCCCF)c(C)nc2s1
InChIInChI=1S/C11H16FN3S/c1-8-7-15-10(6-13-5-3-4-12)9(2)14-11(15)16-8/h7,13H,3-6H2,1-2H3
InChIKeyYBGIZLIBPKXJKU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.46
Rot. Bonds5

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine (PubChem CID 115733056) has the molecular formula C11H16FN3S and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine
PubChem CID115733056
Molecular FormulaC11H16FN3S
Molecular Weight241.33 g/mol
Exact Mass241.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine
SMILESCc1cn2c(CNCCCF)c(C)nc2s1
InChIInChI=1S/C11H16FN3S/c1-8-7-15-10(6-13-5-3-4-12)9(2)14-11(15)16-8/h7,13H,3-6H2,1-2H3
InChIKeyYBGIZLIBPKXJKU-UHFFFAOYSA-N
XLogP2.46
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine (CID 115733056) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine is Cc1cn2c(CNCCCF)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine?
The InChIKey is YBGIZLIBPKXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3S/c1-8-7-15-10(6-13-5-3-4-12)9(2)14-11(15)16-8/h7,13H,3-6H2,1-2H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 115733056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).