N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide

C10H10F3N5O3S2 — CID 1478108

IUPACN'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(C)(=O)=O)cs2)n1
InChIInChI=1S/C10H10F3N5O3S2/c1-5-3-7(10(11,12)13)18(16-5)9-14-6(4-22-9)8(19)15-17-23(2,20)21/h3-4,17H,1-2H3,(H,15,19)
InChIKeyYUKHJZCRYSZXHP-UHFFFAOYSA-N
MW369.35 g/mol
LogP0.85
Rot. Bonds4

About N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide

N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (PubChem CID 1478108) has the molecular formula C10H10F3N5O3S2 and a molecular weight of 369.35 g/mol. Its IUPAC name is N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
PubChem CID1478108
Molecular FormulaC10H10F3N5O3S2
Molecular Weight369.35 g/mol
Exact Mass369.02
IUPAC NameN'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(C)(=O)=O)cs2)n1
InChIInChI=1S/C10H10F3N5O3S2/c1-5-3-7(10(11,12)13)18(16-5)9-14-6(4-22-9)8(19)15-17-23(2,20)21/h3-4,17H,1-2H3,(H,15,19)
InChIKeyYUKHJZCRYSZXHP-UHFFFAOYSA-N
XLogP0.85
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1497062
N'-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)benzenesulfonohydrazide
CID 1478061
2-(3,5-Dimethylpyrazol-1-YL)-N-[2-(piperidine-1-sulfonyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46969398
(3,5-Dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
CID 5018592
4-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)thiomorpholine
CID 118773027
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
2-[4-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 67608548
N-methyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
CID 1477861
4-fluoro-N'-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)benzenesulfonohydrazide
CID 1481955
N-[2-(1-cyclohexenyl)ethyl]-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
CID 3488620
N-ethyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
CID 3845539
N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
CID 4679190

Frequently Asked Questions

What is the IUPAC name of N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (CID 1478108) is N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(C)(=O)=O)cs2)n1.
What is the InChIKey of N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is YUKHJZCRYSZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O3S2/c1-5-3-7(10(11,12)13)18(16-5)9-14-6(4-22-9)8(19)15-17-23(2,20)21/h3-4,17H,1-2H3,(H,15,19).
What are the key properties of N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 369.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 1478108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).