4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole

C12H13N5S — CID 155916480

IUPAC4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCn1ccc(-c2nccn2CCc2cscn2)n1
InChIInChI=1S/C12H13N5S/c1-16-5-3-11(15-16)12-13-4-7-17(12)6-2-10-8-18-9-14-10/h3-5,7-9H,2,6H2,1H3
InChIKeyIMRUJQGLWIEMHI-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.98
Rot. Bonds4

About 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole

4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 155916480) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID155916480
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCn1ccc(-c2nccn2CCc2cscn2)n1
InChIInChI=1S/C12H13N5S/c1-16-5-3-11(15-16)12-13-4-7-17(12)6-2-10-8-18-9-14-10/h3-5,7-9H,2,6H2,1H3
InChIKeyIMRUJQGLWIEMHI-UHFFFAOYSA-N
XLogP1.98
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56877204
2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole
CID 155915530
ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824460
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781
1-methyl-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
CID 63831380
1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64956144
1-prop-2-enyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazole-2-carboxamide
CID 100743493
1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 63831198
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 71967970
N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46996147
4-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 63824117

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 155916480) is 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole is Cn1ccc(-c2nccn2CCc2cscn2)n1.
What is the InChIKey of 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is IMRUJQGLWIEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-16-5-3-11(15-16)12-13-4-7-17(12)6-2-10-8-18-9-14-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 259.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 155916480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).