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

C11H15N3S — CID 43754623

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc2scc(C)n2c1CNC1CC1
InChIInChI=1S/C11H15N3S/c1-7-6-15-11-13-8(2)10(14(7)11)5-12-9-3-4-9/h6,9,12H,3-5H2,1-2H3
InChIKeyUZVBYNCOLLQWQD-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.26
Rot. Bonds3

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 43754623) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine
PubChem CID43754623
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc2scc(C)n2c1CNC1CC1
InChIInChI=1S/C11H15N3S/c1-7-6-15-11-13-8(2)10(14(7)11)5-12-9-3-4-9/h6,9,12H,3-5H2,1-2H3
InChIKeyUZVBYNCOLLQWQD-UHFFFAOYSA-N
XLogP2.26
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine (CID 43754623) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine is Cc1nc2scc(C)n2c1CNC1CC1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is UZVBYNCOLLQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7-6-15-11-13-8(2)10(14(7)11)5-12-9-3-4-9/h6,9,12H,3-5H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 221.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43754623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).