ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C16H18F2N4O3S — CID 19520334

IUPACethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)n1
InChIInChI=1S/C16H18F2N4O3S/c1-2-25-14(24)5-10-8-26-16(19-10)20-13(23)7-22-12(9-3-4-9)6-11(21-22)15(17)18/h6,8-9,15H,2-5,7H2,1H3,(H,19,20,23)
InChIKeyZXIMLGAZCAQNCV-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.90
Rot. Bonds8

About ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19520334) has the molecular formula C16H18F2N4O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19520334
Molecular FormulaC16H18F2N4O3S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Nameethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)n1
InChIInChI=1S/C16H18F2N4O3S/c1-2-25-14(24)5-10-8-26-16(19-10)20-13(23)7-22-12(9-3-4-9)6-11(21-22)15(17)18/h6,8-9,15H,2-5,7H2,1H3,(H,19,20,23)
InChIKeyZXIMLGAZCAQNCV-UHFFFAOYSA-N
XLogP2.90
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[d]thiazole-4-carboxylate
CID 49676806
2-[2-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 46977920
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4772593
Ethyl 2-[2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19267650
Ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19477527
Ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19516569
Ethyl 2-[2-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19517483
Ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19518083
Ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19519146
Ethyl 2-[2-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19519436
Ethyl 2-[2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19519739
Ethyl 2-[2-[[2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19520029

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 19520334) is ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZXIMLGAZCAQNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S/c1-2-25-14(24)5-10-8-26-16(19-10)20-13(23)7-22-12(9-3-4-9)6-11(21-22)15(17)18/h6,8-9,15H,2-5,7H2,1H3,(H,19,20,23).
What are the key properties of ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 384.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19520334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).