N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C10H9BrF2N4OS — CID 3543174

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H9BrF2N4OS/c1-5-2-6(9(12)13)16-17(5)4-8(18)15-10-14-3-7(11)19-10/h2-3,9H,4H2,1H3,(H,14,15,18)
InChIKeyHGTRARQCNQYKHY-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.99
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 3543174) has the molecular formula C10H9BrF2N4OS and a molecular weight of 351.18 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID3543174
Molecular FormulaC10H9BrF2N4OS
Molecular Weight351.18 g/mol
Exact Mass349.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H9BrF2N4OS/c1-5-2-6(9(12)13)16-17(5)4-8(18)15-10-14-3-7(11)19-10/h2-3,9H,4H2,1H3,(H,14,15,18)
InChIKeyHGTRARQCNQYKHY-UHFFFAOYSA-N
XLogP2.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30278540
N-(5-bromo-1,3-thiazol-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
CID 4768580
4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4769549
N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769965
1-(difluoromethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 4772172
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4772943
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 3543174) is N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)nn1CC(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is HGTRARQCNQYKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N4OS/c1-5-2-6(9(12)13)16-17(5)4-8(18)15-10-14-3-7(11)19-10/h2-3,9H,4H2,1H3,(H,14,15,18).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 351.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 3543174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).