N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

C9H12N4S — CID 63829341

IUPACN-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1c[nH]c(CNCCc2cscn2)n1
InChIInChI=1S/C9H12N4S/c1(8-6-14-7-13-8)2-10-5-9-11-3-4-12-9/h3-4,6-7,10H,1-2,5H2,(H,11,12)
InChIKeyIEZLJBBOZIUPMC-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.20
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63829341) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63829341
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1c[nH]c(CNCCc2cscn2)n1
InChIInChI=1S/C9H12N4S/c1(8-6-14-7-13-8)2-10-5-9-11-3-4-12-9/h3-4,6-7,10H,1-2,5H2,(H,11,12)
InChIKeyIEZLJBBOZIUPMC-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119111772
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine
CID 115897926
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
4-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 106840602
N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 79202050
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-[(6-chloro-3-pyridinyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115683711
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63831322

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (CID 63829341) is N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is c1c[nH]c(CNCCc2cscn2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is IEZLJBBOZIUPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1(8-6-14-7-13-8)2-10-5-9-11-3-4-12-9/h3-4,6-7,10H,1-2,5H2,(H,11,12).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63829341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).