N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H10BrF3N4OS — CID 4769809

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ncc(Br)s1
InChIInChI=1S/C12H10BrF3N4OS/c13-9-4-17-11(22-9)18-10(21)5-20-7(6-1-2-6)3-8(19-20)12(14,15)16/h3-4,6H,1-2,5H2,(H,17,18,21)
InChIKeySWDFFSHPUIFMOH-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.64
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4769809) has the molecular formula C12H10BrF3N4OS and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4769809
Molecular FormulaC12H10BrF3N4OS
Molecular Weight395.20 g/mol
Exact Mass393.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ncc(Br)s1
InChIInChI=1S/C12H10BrF3N4OS/c13-9-4-17-11(22-9)18-10(21)5-20-7(6-1-2-6)3-8(19-20)12(14,15)16/h3-4,6H,1-2,5H2,(H,17,18,21)
InChIKeySWDFFSHPUIFMOH-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4769809) is N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SWDFFSHPUIFMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4OS/c13-9-4-17-11(22-9)18-10(21)5-20-7(6-1-2-6)3-8(19-20)12(14,15)16/h3-4,6H,1-2,5H2,(H,17,18,21).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 395.20 g/mol, XLogP of 3.64, 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-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4769809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).