[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

C13H13F3N4OS2 — CID 118773027

IUPAC[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCSCC3)cs2)n1
InChIInChI=1S/C13H13F3N4OS2/c1-8-6-10(13(14,15)16)20(18-8)12-17-9(7-23-12)11(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3
InChIKeyUQQGHMAAVARXIP-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.85
Rot. Bonds2

About [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 118773027) has the molecular formula C13H13F3N4OS2 and a molecular weight of 362.40 g/mol. Its IUPAC name is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID118773027
Molecular FormulaC13H13F3N4OS2
Molecular Weight362.40 g/mol
Exact Mass362.05
IUPAC Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCSCC3)cs2)n1
InChIInChI=1S/C13H13F3N4OS2/c1-8-6-10(13(14,15)16)20(18-8)12-17-9(7-23-12)11(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3
InChIKeyUQQGHMAAVARXIP-UHFFFAOYSA-N
XLogP2.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1497062
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 46969398
4-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,4-oxazepan-6-ol
CID 70760304
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72861628
2-[Methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 67254023
(3,5-Dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
CID 5018592
3-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CID 17038883
rel-(1S,6R)-3-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-3,9-diazabicyclo[4.2.1]nonane hydrochloride
CID 50982189
(3S*,4S*)-1-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)piperidine-3,4-diol
CID 56897645
4-methyl-1-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,2,3,6-tetrahydropyridine
CID 119063578

Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (CID 118773027) is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCSCC3)cs2)n1.
What is the InChIKey of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is UQQGHMAAVARXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS2/c1-8-6-10(13(14,15)16)20(18-8)12-17-9(7-23-12)11(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3.
What are the key properties of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 362.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 118773027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).