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

C13H19N3S — CID 43776535

IUPAC1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2scc(C)n2c1CNC(C)C1CC1
InChIInChI=1S/C13H19N3S/c1-8-7-17-13-15-10(3)12(16(8)13)6-14-9(2)11-4-5-11/h7,9,11,14H,4-6H2,1-3H3
InChIKeyHYEMDNUDIKIQGB-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.90
Rot. Bonds4

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

1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 43776535) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID43776535
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2scc(C)n2c1CNC(C)C1CC1
InChIInChI=1S/C13H19N3S/c1-8-7-17-13-15-10(3)12(16(8)13)6-14-9(2)11-4-5-11/h7,9,11,14H,4-6H2,1-3H3
InChIKeyHYEMDNUDIKIQGB-UHFFFAOYSA-N
XLogP2.90
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 43776535) is 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Cc1nc2scc(C)n2c1CNC(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is HYEMDNUDIKIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-8-7-17-13-15-10(3)12(16(8)13)6-14-9(2)11-4-5-11/h7,9,11,14H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 43776535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).