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

C29H34FN5O5S — CID 98092343

IUPAC4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)c2ccc(F)cc2)o1
InChIInChI=1S/C29H34FN5O5S/c1-17-9-14-22(40-17)25(28(37)32-16-21-8-5-15-39-21)35(20-12-10-18(30)11-13-20)29(38)26-23(31)24(34-41-26)27(36)33-19-6-3-2-4-7-19/h9-14,19,21,25H,2-8,15-16,31H2,1H3,(H,32,37)(H,33,36)/t21-,25+/m0/s1
InChIKeyAHYMZTLPPKEFAW-SQJMNOBHSA-N
MW583.69 g/mol
LogP4.51
Rot. Bonds9

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

4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 98092343) has the molecular formula C29H34FN5O5S and a molecular weight of 583.69 g/mol. Its IUPAC name is 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID98092343
Molecular FormulaC29H34FN5O5S
Molecular Weight583.69 g/mol
Exact Mass583.23
IUPAC Name4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)c2ccc(F)cc2)o1
InChIInChI=1S/C29H34FN5O5S/c1-17-9-14-22(40-17)25(28(37)32-16-21-8-5-15-39-21)35(20-12-10-18(30)11-13-20)29(38)26-23(31)24(34-41-26)27(36)33-19-6-3-2-4-7-19/h9-14,19,21,25H,2-8,15-16,31H2,1H3,(H,32,37)(H,33,36)/t21-,25+/m0/s1
InChIKeyAHYMZTLPPKEFAW-SQJMNOBHSA-N
XLogP4.51
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.69
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide with MolForge

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Related Compounds

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-(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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-N-[(1S)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 98087679
4-amino-5-N-[(1R)-2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-N-cyclohexyl-5-N-(3-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 98092254
4-amino-5-N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(3,4-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3174240
4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25457948
4-amino-3-N-cyclohexyl-5-N-(2,5-dimethylphenyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3182416
4-amino-3-N-cyclohexyl-5-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3182361
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(3,4-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25457647
4-amino-5-N-[(1R)-1-(4-chlorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-3-N-cyclohexyl-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide
CID 99653573
4-amino-5-N-[1-(4-chlorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3-N-cyclohexyl-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide
CID 3182404
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide (CID 98092343) is 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide is Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(=O)NC3CCCCC3)c2N)c2ccc(F)cc2)o1.
What is the InChIKey of 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is AHYMZTLPPKEFAW-SQJMNOBHSA-N. The full InChI is InChI=1S/C29H34FN5O5S/c1-17-9-14-22(40-17)25(28(37)32-16-21-8-5-15-39-21)35(20-12-10-18(30)11-13-20)29(38)26-23(31)24(34-41-26)27(36)33-19-6-3-2-4-7-19/h9-14,19,21,25H,2-8,15-16,31H2,1H3,(H,32,37)(H,33,36)/t21-,25+/m0/s1.
What are the key properties of 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 583.69 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-cyclohexyl-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 98092343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).