3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine

C10H13N3S — CID 76997232

IUPAC3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
SMILESCc1nc2scc(C)n2c1C=CCN
InChIInChI=1S/C10H13N3S/c1-7-6-14-10-12-8(2)9(13(7)10)4-3-5-11/h3-4,6H,5,11H2,1-2H3
InChIKeyWBFHXBQYLKXOIF-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.98
Rot. Bonds2

About 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine

3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine (PubChem CID 76997232) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
PubChem CID76997232
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
SMILESCc1nc2scc(C)n2c1C=CCN
InChIInChI=1S/C10H13N3S/c1-7-6-14-10-12-8(2)9(13(7)10)4-3-5-11/h3-4,6H,5,11H2,1-2H3
InChIKeyWBFHXBQYLKXOIF-UHFFFAOYSA-N
XLogP1.98
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine?
The IUPAC name of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine (CID 76997232) is 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine is Cc1nc2scc(C)n2c1C=CCN.
What is the InChIKey of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine?
The InChIKey is WBFHXBQYLKXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-6-14-10-12-8(2)9(13(7)10)4-3-5-11/h3-4,6H,5,11H2,1-2H3.
What are the key properties of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine?
3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine has a molecular weight of 207.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 76997232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).