N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine

C14H19N3S — CID 102641228

IUPACN-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H19N3S/c1-3-14(2,10-15-11-4-5-11)8-12-9-17-6-7-18-13(17)16-12/h3,6-7,9,11,15H,1,4-5,8,10H2,2H3
InChIKeyYGIGWIBJZVJVCL-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine

N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641228) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641228
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H19N3S/c1-3-14(2,10-15-11-4-5-11)8-12-9-17-6-7-18-13(17)16-12/h3,6-7,9,11,15H,1,4-5,8,10H2,2H3
InChIKeyYGIGWIBJZVJVCL-UHFFFAOYSA-N
XLogP2.88
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
CID 83159614
N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine
CID 113289404
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpentyl]cyclopropanamine
CID 115334270
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
CID 112571066
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464
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
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115331691

Frequently Asked Questions

What is the IUPAC name of N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine (CID 102641228) is N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)Cc1cn2ccsc2n1.
What is the InChIKey of N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is YGIGWIBJZVJVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-14(2,10-15-11-4-5-11)8-12-9-17-6-7-18-13(17)16-12/h3,6-7,9,11,15H,1,4-5,8,10H2,2H3.
What are the key properties of N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine?
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 261.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).