4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole

C12H17N3S — CID 126581779

IUPAC4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cc(C[C@H](C)c2cscn2)[nH]n1
InChIInChI=1S/C12H17N3S/c1-8(2)11-5-10(14-15-11)4-9(3)12-6-16-7-13-12/h5-9H,4H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyWDLFYGUYTNYNRG-VIFPVBQESA-N
MW235.36 g/mol
LogP3.34
Rot. Bonds4

About 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole

4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole (PubChem CID 126581779) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole
PubChem CID126581779
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cc(C[C@H](C)c2cscn2)[nH]n1
InChIInChI=1S/C12H17N3S/c1-8(2)11-5-10(14-15-11)4-9(3)12-6-16-7-13-12/h5-9H,4H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyWDLFYGUYTNYNRG-VIFPVBQESA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole with MolForge

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Related Compounds

3-propan-2-yl-5-propyl-1H-pyrazole
CID 45095856
5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole
CID 59743848
methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate
CID 59640765
3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 20664541
[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]hydrazine
CID 105254368
N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 83819523
4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
CID 58051737
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
CID 157413823
N,5-dimethyl-1-(1,3-thiazol-4-yl)hexan-1-amine
CID 83161915
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole?
The IUPAC name of 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole (CID 126581779) is 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole is CC(C)c1cc(C[C@H](C)c2cscn2)[nH]n1.
What is the InChIKey of 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole?
The InChIKey is WDLFYGUYTNYNRG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3S/c1-8(2)11-5-10(14-15-11)4-9(3)12-6-16-7-13-12/h5-9H,4H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole?
4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole has a molecular weight of 235.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 126581779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).