N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine

C14H20N4OS — CID 82441971

IUPACN-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(-c2cnccn2)nc1COC
InChIInChI=1S/C14H20N4OS/c1-3-4-5-15-9-13-12(10-19-2)18-14(20-13)11-8-16-6-7-17-11/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyVIGMAWALNRUVLD-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.64
Rot. Bonds8

About N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine

N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine (PubChem CID 82441971) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine
PubChem CID82441971
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(-c2cnccn2)nc1COC
InChIInChI=1S/C14H20N4OS/c1-3-4-5-15-9-13-12(10-19-2)18-14(20-13)11-8-16-6-7-17-11/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyVIGMAWALNRUVLD-UHFFFAOYSA-N
XLogP2.64
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366425
3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441990
N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82431089
N-[[4-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103375135
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366269
N-[[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366327
N-[[2-(3,5-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107918079
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[[4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366796
N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366844
N-[[2-(3-bromo-5-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366403
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366521

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine (CID 82441971) is N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine is CCCCNCc1sc(-c2cnccn2)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is VIGMAWALNRUVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-4-5-15-9-13-12(10-19-2)18-14(20-13)11-8-16-6-7-17-11/h6-8,15H,3-5,9-10H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine?
N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 292.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 82441971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).