ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate

C19H18FN5O5S — CID 175848806

IUPACethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2sc(N(c3ccc(F)cc3)[C@H](C)C(N)=O)nc2N)on1
InChIInChI=1S/C19H18FN5O5S/c1-3-29-18(28)12-8-13(30-24-12)14(26)15-16(21)23-19(31-15)25(9(2)17(22)27)11-6-4-10(20)5-7-11/h4-9H,3,21H2,1-2H3,(H2,22,27)/t9-/m1/s1
InChIKeyMPVQRIOBAPGTRE-SECBINFHSA-N
MW447.45 g/mol
LogP2.27
Rot. Bonds8

About ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate

ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate (PubChem CID 175848806) has the molecular formula C19H18FN5O5S and a molecular weight of 447.45 g/mol. Its IUPAC name is ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate
PubChem CID175848806
Molecular FormulaC19H18FN5O5S
Molecular Weight447.45 g/mol
Exact Mass447.10
IUPAC Nameethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2sc(N(c3ccc(F)cc3)[C@H](C)C(N)=O)nc2N)on1
InChIInChI=1S/C19H18FN5O5S/c1-3-29-18(28)12-8-13(30-24-12)14(26)15-16(21)23-19(31-15)25(9(2)17(22)27)11-6-4-10(20)5-7-11/h4-9H,3,21H2,1-2H3,(H2,22,27)/t9-/m1/s1
InChIKeyMPVQRIOBAPGTRE-SECBINFHSA-N
XLogP2.27
TPSA154.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(1,3-difluoropropan-2-yl)-1,2-oxazole-3-carboxamide
CID 175848852
5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 175848843
(2R)-2-(N-[4-amino-5-[3-(hydroxymethyl)-1,2-oxazole-5-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 175848875
5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-[2-(trifluoromethoxy)ethyl]-1,2-oxazole-3-carboxamide
CID 156895431
5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 156895518
2-(N-[4-amino-5-[3-[(3,3-difluoroazetidin-1-yl)methyl]-1,2-oxazole-5-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 156895470
2-(N-[4-amino-5-[3-[[cyclopentyl(methyl)amino]methyl]-1,2-oxazole-5-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 156895464
5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide
CID 156895430
ethyl 2-[4-[4-amino-2-(N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenoxy]acetate
CID 167436469
2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792768
(2S)-2-(N-[4-amino-5-(4-cyanobenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792741
2-[4-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenoxy]ethyl acetate
CID 166792590

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate (CID 175848806) is ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(=O)c2sc(N(c3ccc(F)cc3)[C@H](C)C(N)=O)nc2N)on1.
What is the InChIKey of ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate?
The InChIKey is MPVQRIOBAPGTRE-SECBINFHSA-N. The full InChI is InChI=1S/C19H18FN5O5S/c1-3-29-18(28)12-8-13(30-24-12)14(26)15-16(21)23-19(31-15)25(9(2)17(22)27)11-6-4-10(20)5-7-11/h4-9H,3,21H2,1-2H3,(H2,22,27)/t9-/m1/s1.
What are the key properties of ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate has a molecular weight of 447.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 175848806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).