N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C11H11F3N4OS — CID 45147779

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cnc(NC(=O)C(C)n2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C11H11F3N4OS/c1-6-5-15-10(20-6)16-9(19)7(2)18-4-3-8(17-18)11(12,13)14/h3-5,7H,1-2H3,(H,15,16,19)
InChIKeyHQDGUOXQAOYVBH-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.87
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 45147779) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID45147779
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cnc(NC(=O)C(C)n2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C11H11F3N4OS/c1-6-5-15-10(20-6)16-9(19)7(2)18-4-3-8(17-18)11(12,13)14/h3-5,7H,1-2H3,(H,15,16,19)
InChIKeyHQDGUOXQAOYVBH-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1259355
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 4770994
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369831
1-Ethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 891818
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144276

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 45147779) is N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cnc(NC(=O)C(C)n2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is HQDGUOXQAOYVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-6-5-15-10(20-6)16-9(19)7(2)18-4-3-8(17-18)11(12,13)14/h3-5,7H,1-2H3,(H,15,16,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 304.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 45147779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).