N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine

C13H17N5OS — CID 115334657

IUPACN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccn(Cc2cn3ccsc3n2)n1
InChIInChI=1S/C13H17N5OS/c1-19-6-3-14-8-11-2-4-18(16-11)10-12-9-17-5-7-20-13(17)15-12/h2,4-5,7,9,14H,3,6,8,10H2,1H3
InChIKeyAYONOHOUAGGCMP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.38
Rot. Bonds7

About N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine (PubChem CID 115334657) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
PubChem CID115334657
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccn(Cc2cn3ccsc3n2)n1
InChIInChI=1S/C13H17N5OS/c1-19-6-3-14-8-11-2-4-18(16-11)10-12-9-17-5-7-20-13(17)15-12/h2,4-5,7,9,14H,3,6,8,10H2,1H3
InChIKeyAYONOHOUAGGCMP-UHFFFAOYSA-N
XLogP1.38
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115334364
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 115332080
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 115278977
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 115332088
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methoxypropan-1-ol
CID 106190367

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine (CID 115334657) is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine is COCCNCc1ccn(Cc2cn3ccsc3n2)n1.
What is the InChIKey of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is AYONOHOUAGGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-19-6-3-14-8-11-2-4-18(16-11)10-12-9-17-5-7-20-13(17)15-12/h2,4-5,7,9,14H,3,6,8,10H2,1H3.
What are the key properties of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine?
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 291.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115334657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).