2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide

C11H12F2N4OS — CID 74227314

IUPAC2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide
SMILESCc1ncsc1CCn1cc(NC(=O)C(F)F)cn1
InChIInChI=1S/C11H12F2N4OS/c1-7-9(19-6-14-7)2-3-17-5-8(4-15-17)16-11(18)10(12)13/h4-6,10H,2-3H2,1H3,(H,16,18)
InChIKeyDSOHYOCERJEZEZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.09
Rot. Bonds5

About 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide

2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide (PubChem CID 74227314) has the molecular formula C11H12F2N4OS and a molecular weight of 286.31 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide
PubChem CID74227314
Molecular FormulaC11H12F2N4OS
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide
SMILESCc1ncsc1CCn1cc(NC(=O)C(F)F)cn1
InChIInChI=1S/C11H12F2N4OS/c1-7-9(19-6-14-7)2-3-17-5-8(4-15-17)16-11(18)10(12)13/h4-6,10H,2-3H2,1H3,(H,16,18)
InChIKeyDSOHYOCERJEZEZ-UHFFFAOYSA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide (CID 74227314) is 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide is Cc1ncsc1CCn1cc(NC(=O)C(F)F)cn1.
What is the InChIKey of 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
The InChIKey is DSOHYOCERJEZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4OS/c1-7-9(19-6-14-7)2-3-17-5-8(4-15-17)16-11(18)10(12)13/h4-6,10H,2-3H2,1H3,(H,16,18).
What are the key properties of 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide has a molecular weight of 286.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 74227314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).