ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C23H21FN6O3S — CID 55633659

IUPACethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)Cc2ccc(-n3cnnn3)cc2)nc1C
InChIInChI=1S/C23H21FN6O3S/c1-3-33-22(32)21-15(2)26-23(34-21)29(13-17-4-8-18(24)9-5-17)20(31)12-16-6-10-19(11-7-16)30-14-25-27-28-30/h4-11,14H,3,12-13H2,1-2H3
InChIKeyBNQIYCSPVMYYIW-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.52
Rot. Bonds8

About ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55633659) has the molecular formula C23H21FN6O3S and a molecular weight of 480.53 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID55633659
Molecular FormulaC23H21FN6O3S
Molecular Weight480.53 g/mol
Exact Mass480.14
IUPAC Nameethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)Cc2ccc(-n3cnnn3)cc2)nc1C
InChIInChI=1S/C23H21FN6O3S/c1-3-33-22(32)21-15(2)26-23(34-21)29(13-17-4-8-18(24)9-5-17)20(31)12-16-6-10-19(11-7-16)30-14-25-27-28-30/h4-11,14H,3,12-13H2,1-2H3
InChIKeyBNQIYCSPVMYYIW-UHFFFAOYSA-N
XLogP3.52
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[(4-fluorophenyl)methyl-[4-(methoxymethyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55372577
ethyl 2-[(4-fluorophenyl)methyl-(5-methylfuran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55372621
ethyl 2-[(4-fluorophenyl)methyl-[4-(methylsulfonylmethyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55372579
ethyl 2-[(4-fluorophenyl)methyl-(3-methyl-1,2-oxazole-5-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55389451
ethyl 2-[[2-[(E)-but-2-enoyl]oxyacetyl]-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9080687
ethyl 2-[(4-fluorophenyl)methyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 112816272
ethyl 2-[(3-cyanobenzoyl)-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 18287382
ethyl 2-[(4-fluorophenyl)methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55508172
ethyl 2-[benzyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55493868
ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55372622
ethyl 2-[benzyl-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16529711
ethyl 2-[benzyl-[2-(trifluoromethylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55668327

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 55633659) is ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)Cc2ccc(-n3cnnn3)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BNQIYCSPVMYYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3S/c1-3-33-22(32)21-15(2)26-23(34-21)29(13-17-4-8-18(24)9-5-17)20(31)12-16-6-10-19(11-7-16)30-14-25-27-28-30/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 480.53 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)methyl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55633659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).