(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine

C12H18N4S — CID 104943036

IUPAC(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCc1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-3-10(13)11-6-14-8-16(11)5-4-12-15-9(2)7-17-12/h6-8,10H,3-5,13H2,1-2H3/t10-/m1/s1
InChIKeyZETZWUILEYPZOT-SNVBAGLBSA-N
MW250.37 g/mol
LogP2.30
Rot. Bonds5

About (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine (PubChem CID 104943036) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine
PubChem CID104943036
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCc1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-3-10(13)11-6-14-8-16(11)5-4-12-15-9(2)7-17-12/h6-8,10H,3-5,13H2,1-2H3/t10-/m1/s1
InChIKeyZETZWUILEYPZOT-SNVBAGLBSA-N
XLogP2.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine with MolForge

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Related Compounds

[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720232
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66152219
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114704901
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 102969605
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 66134318
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942516
N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide
CID 104942230
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131187
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571781
ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 63240207

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine (CID 104943036) is (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1CCc1nc(C)cs1.
What is the InChIKey of (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine?
The InChIKey is ZETZWUILEYPZOT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-10(13)11-6-14-8-16(11)5-4-12-15-9(2)7-17-12/h6-8,10H,3-5,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104943036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).