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

C16H23N3S — CID 79339819

IUPACN-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCc1nc2scc(C)n2c1C=C(CNC1CC1)C(C)C
InChIInChI=1S/C16H23N3S/c1-10(2)13(8-17-14-5-6-14)7-15-12(4)18-16-19(15)11(3)9-20-16/h7,9-10,14,17H,5-6,8H2,1-4H3
InChIKeyYBKUQEXZVWVZGG-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.80
Rot. Bonds5

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

N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine (PubChem CID 79339819) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine
PubChem CID79339819
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCc1nc2scc(C)n2c1C=C(CNC1CC1)C(C)C
InChIInChI=1S/C16H23N3S/c1-10(2)13(8-17-14-5-6-14)7-15-12(4)18-16-19(15)11(3)9-20-16/h7,9-10,14,17H,5-6,8H2,1-4H3
InChIKeyYBKUQEXZVWVZGG-UHFFFAOYSA-N
XLogP3.80
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine (CID 79339819) is N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine is Cc1nc2scc(C)n2c1C=C(CNC1CC1)C(C)C.
What is the InChIKey of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine?
The InChIKey is YBKUQEXZVWVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-10(2)13(8-17-14-5-6-14)7-15-12(4)18-16-19(15)11(3)9-20-16/h7,9-10,14,17H,5-6,8H2,1-4H3.
What are the key properties of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine?
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine has a molecular weight of 289.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79339819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).