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

C9H12N4S — CID 62999538

IUPAC2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1cn(CCNCc2nccs2)cn1
InChIInChI=1S/C9H12N4S/c1(4-13-5-2-11-8-13)10-7-9-12-3-6-14-9/h2-3,5-6,8,10H,1,4,7H2
InChIKeyPGKJQCITFFGSGR-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.13
Rot. Bonds5

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

2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 62999538) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID62999538
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1cn(CCNCc2nccs2)cn1
InChIInChI=1S/C9H12N4S/c1(4-13-5-2-11-8-13)10-7-9-12-3-6-14-9/h2-3,5-6,8,10H,1,4,7H2
InChIKeyPGKJQCITFFGSGR-UHFFFAOYSA-N
XLogP1.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 104878423
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine
CID 130834561
5-[(2-imidazol-1-ylethylamino)methyl]thiophene-3-carboxamide
CID 79613529
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022
4-[(2-imidazol-1-ylethylamino)methyl]benzene-1,2-diol
CID 60664482
1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001488
N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 66413353
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66413704
2-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 60695143

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 62999538) is 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine is c1cn(CCNCc2nccs2)cn1.
What is the InChIKey of 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is PGKJQCITFFGSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1(4-13-5-2-11-8-13)10-7-9-12-3-6-14-9/h2-3,5-6,8,10H,1,4,7H2.
What are the key properties of 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 62999538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).