4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide

C24H24FN5O4S — CID 25307870

IUPAC4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N
InChIInChI=1S/C24H24FN5O4S/c25-15-10-8-14(9-11-15)20(23(32)28-13-17-7-4-12-34-17)30(16-5-2-1-3-6-16)24(33)21-18(26)19(22(27)31)29-35-21/h1-3,5-6,8-11,17,20H,4,7,12-13,26H2,(H2,27,31)(H,28,32)/t17-,20-/m0/s1
InChIKeyZJGKIMUZGOTMHH-PXNSSMCTSA-N
MW497.55 g/mol
LogP2.65
Rot. Bonds8

About 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide (PubChem CID 25307870) has the molecular formula C24H24FN5O4S and a molecular weight of 497.55 g/mol. Its IUPAC name is 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
PubChem CID25307870
Molecular FormulaC24H24FN5O4S
Molecular Weight497.55 g/mol
Exact Mass497.15
IUPAC Name4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N
InChIInChI=1S/C24H24FN5O4S/c25-15-10-8-14(9-11-15)20(23(32)28-13-17-7-4-12-34-17)30(16-5-2-1-3-6-16)24(33)21-18(26)19(22(27)31)29-35-21/h1-3,5-6,8-11,17,20H,4,7,12-13,26H2,(H2,27,31)(H,28,32)/t17-,20-/m0/s1
InChIKeyZJGKIMUZGOTMHH-PXNSSMCTSA-N
XLogP2.65
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25450369
4-amino-5-N-(2-ethylphenyl)-5-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40648882
4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25308441
4-amino-5-N-(3,4-dimethoxyphenyl)-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 98089851
4-amino-5-N-(2,3-dimethylphenyl)-5-N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3177470
4-amino-5-N-[(2-fluorophenyl)methyl]-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 93473463
4-amino-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 25457897
4-amino-5-N-(2,4-dimethylphenyl)-5-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25307936
4-amino-5-N-(2,5-dimethylphenyl)-5-N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3177472
4-amino-5-N-[(1S)-1-(1H-indol-3-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 25304341
4-amino-5-N-(4-ethylphenyl)-5-N-[(1S)-1-(4-methylphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40645713
4-amino-5-N-[1-[4-(dimethylamino)phenyl]-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-N-(2-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185713

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide (CID 25307870) is 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide is NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N.
What is the InChIKey of 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is ZJGKIMUZGOTMHH-PXNSSMCTSA-N. The full InChI is InChI=1S/C24H24FN5O4S/c25-15-10-8-14(9-11-15)20(23(32)28-13-17-7-4-12-34-17)30(16-5-2-1-3-6-16)24(33)21-18(26)19(22(27)31)29-35-21/h1-3,5-6,8-11,17,20H,4,7,12-13,26H2,(H2,27,31)(H,28,32)/t17-,20-/m0/s1.
What are the key properties of 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 497.55 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25307870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).