N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine

C13H19N3S — CID 113289404

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine
SMILESCC(CCc1cn2ccsc2n1)CNC1CC1
InChIInChI=1S/C13H19N3S/c1-10(8-14-11-4-5-11)2-3-12-9-16-6-7-17-13(16)15-12/h6-7,9-11,14H,2-5,8H2,1H3
InChIKeySAMLYVXBKFXPQE-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.72
Rot. Bonds6

About N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine

N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine (PubChem CID 113289404) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine
PubChem CID113289404
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine
SMILESCC(CCc1cn2ccsc2n1)CNC1CC1
InChIInChI=1S/C13H19N3S/c1-10(8-14-11-4-5-11)2-3-12-9-16-6-7-17-13(16)15-12/h6-7,9-11,14H,2-5,8H2,1H3
InChIKeySAMLYVXBKFXPQE-UHFFFAOYSA-N
XLogP2.72
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpentyl]cyclopropanamine
CID 115334270
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115332399
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115331691
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641228
N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine
CID 115926891

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine (CID 113289404) is N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine is CC(CCc1cn2ccsc2n1)CNC1CC1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine?
The InChIKey is SAMLYVXBKFXPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(8-14-11-4-5-11)2-3-12-9-16-6-7-17-13(16)15-12/h6-7,9-11,14H,2-5,8H2,1H3.
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine?
N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine has a molecular weight of 249.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine is sourced from PubChem (CID 113289404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).