ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C18H16F2N4O4S — CID 19514215

IUPACethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(OC(F)F)cc3)n[nH]2)n1
InChIInChI=1S/C18H16F2N4O4S/c1-2-27-15(25)7-11-9-29-18(21-11)22-16(26)14-8-13(23-24-14)10-3-5-12(6-4-10)28-17(19)20/h3-6,8-9,17H,2,7H2,1H3,(H,23,24)(H,21,22,26)
InChIKeyDSCLRWWHNVNDFC-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.49
Rot. Bonds8

About ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19514215) has the molecular formula C18H16F2N4O4S and a molecular weight of 422.41 g/mol. Its IUPAC name is ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19514215
Molecular FormulaC18H16F2N4O4S
Molecular Weight422.41 g/mol
Exact Mass422.09
IUPAC Nameethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(OC(F)F)cc3)n[nH]2)n1
InChIInChI=1S/C18H16F2N4O4S/c1-2-27-15(25)7-11-9-29-18(21-11)22-16(26)14-8-13(23-24-14)10-3-5-12(6-4-10)28-17(19)20/h3-6,8-9,17H,2,7H2,1H3,(H,23,24)(H,21,22,26)
InChIKeyDSCLRWWHNVNDFC-UHFFFAOYSA-N
XLogP3.49
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514191
ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376383
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193346
ethyl 2-[2-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 26246877
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
ethyl 2-[2-[[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19447615
ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
CID 2948076

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 19514215) is ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(OC(F)F)cc3)n[nH]2)n1.
What is the InChIKey of ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DSCLRWWHNVNDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S/c1-2-27-15(25)7-11-9-29-18(21-11)22-16(26)14-8-13(23-24-14)10-3-5-12(6-4-10)28-17(19)20/h3-6,8-9,17H,2,7H2,1H3,(H,23,24)(H,21,22,26).
What are the key properties of ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 422.41 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19514215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).