2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole

C12H17N3S — CID 163664751

IUPAC2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cn(C[C@H](C)c2nccs2)cn1
InChIInChI=1S/C12H17N3S/c1-9(2)11-7-15(8-14-11)6-10(3)12-13-4-5-16-12/h4-5,7-10H,6H2,1-3H3/t10-/m0/s1
InChIKeyIXKNFCNEGQPXLA-JTQLQIEISA-N
MW235.36 g/mol
LogP3.27
Rot. Bonds4

About 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole

2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole (PubChem CID 163664751) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole
PubChem CID163664751
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cn(C[C@H](C)c2nccs2)cn1
InChIInChI=1S/C12H17N3S/c1-9(2)11-7-15(8-14-11)6-10(3)12-13-4-5-16-12/h4-5,7-10H,6H2,1-3H3/t10-/m0/s1
InChIKeyIXKNFCNEGQPXLA-JTQLQIEISA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-propan-2-ylimidazole
CID 10057571
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
(1-methylimidazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 130508756
2-[(4-propan-2-ylimidazol-1-yl)methyl]pyridine
CID 142663682
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole (CID 163664751) is 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole is CC(C)c1cn(C[C@H](C)c2nccs2)cn1.
What is the InChIKey of 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole?
The InChIKey is IXKNFCNEGQPXLA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(2)11-7-15(8-14-11)6-10(3)12-13-4-5-16-12/h4-5,7-10H,6H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole?
2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole has a molecular weight of 235.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 163664751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).