ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C19H18F2N4O3S — CID 52661680

IUPACethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C19H18F2N4O3S/c1-4-28-16(26)8-13-9-29-19(22-13)23-18(27)17-10(2)24-25(11(17)3)15-6-5-12(20)7-14(15)21/h5-7,9H,4,8H2,1-3H3,(H,22,23,27)
InChIKeyDXZORQBDVQKYBF-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.58
Rot. Bonds6

About ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 52661680) has the molecular formula C19H18F2N4O3S and a molecular weight of 420.44 g/mol. Its IUPAC name is ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID52661680
Molecular FormulaC19H18F2N4O3S
Molecular Weight420.44 g/mol
Exact Mass420.11
IUPAC Nameethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C19H18F2N4O3S/c1-4-28-16(26)8-13-9-29-19(22-13)23-18(27)17-10(2)24-25(11(17)3)15-6-5-12(20)7-14(15)21/h5-7,9H,4,8H2,1-3H3,(H,22,23,27)
InChIKeyDXZORQBDVQKYBF-UHFFFAOYSA-N
XLogP3.58
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl (E)-3-[4-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]phenyl]prop-2-enoate
CID 55638881
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19477527
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55961631
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
N-[4-(cyanomethoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55638721
ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 7597796
ethyl 2-[2-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19280753
ethyl 2-[2-[[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 29283675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 52661680) is ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)n1.
What is the InChIKey of ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DXZORQBDVQKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S/c1-4-28-16(26)8-13-9-29-19(22-13)23-18(27)17-10(2)24-25(11(17)3)15-6-5-12(20)7-14(15)21/h5-7,9H,4,8H2,1-3H3,(H,22,23,27).
What are the key properties of ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 420.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 52661680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).