4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide

C26H34ClN5O3S — CID 1156238

IUPAC4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(Cl)cc1
InChIInChI=1S/C26H34ClN5O3S/c1-2-20(24(33)29-17-10-6-7-11-17)32(19-14-12-16(27)13-15-19)26(35)23-21(28)22(31-36-23)25(34)30-18-8-4-3-5-9-18/h12-15,17-18,20H,2-11,28H2,1H3,(H,29,33)(H,30,34)/t20-/m1/s1
InChIKeyPNIXNVJJJDDQEC-HXUWFJFHSA-N
MW532.11 g/mol
LogP4.93
Rot. Bonds8

About 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 1156238) has the molecular formula C26H34ClN5O3S and a molecular weight of 532.11 g/mol. Its IUPAC name is 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID1156238
Molecular FormulaC26H34ClN5O3S
Molecular Weight532.11 g/mol
Exact Mass531.21
IUPAC Name4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(Cl)cc1
InChIInChI=1S/C26H34ClN5O3S/c1-2-20(24(33)29-17-10-6-7-11-17)32(19-14-12-16(27)13-15-19)26(35)23-21(28)22(31-36-23)25(34)30-18-8-4-3-5-9-18/h12-15,17-18,20H,2-11,28H2,1H3,(H,29,33)(H,30,34)/t20-/m1/s1
InChIKeyPNIXNVJJJDDQEC-HXUWFJFHSA-N
XLogP4.93
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.11
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide with MolForge

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Related Compounds

4-amino-5-N-(4-chlorophenyl)-5-N-[(2S)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 40631870
4-amino-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 1156229
4-amino-5-N-(4-chlorophenyl)-5-N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-3-N-cyclohexyl-1,2-thiazole-3,5-dicarboxamide
CID 98091994
4-amino-5-N-(4-chlorophenyl)-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3180056
4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3182246
4-amino-5-N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40645776
4-amino-5-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-(4-chlorophenyl)-3-N-cyclohexyl-1,2-thiazole-3,5-dicarboxamide
CID 3182041
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-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3182254
4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180507
4-amino-5-N-[(2R)-1-(benzylamino)-1-oxobutan-2-yl]-3-N-cyclohexyl-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 1156822
4-amino-5-N-[1-(cyclopentylamino)-1-oxobutan-2-yl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3179923

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide (CID 1156238) is 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide is CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is PNIXNVJJJDDQEC-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H34ClN5O3S/c1-2-20(24(33)29-17-10-6-7-11-17)32(19-14-12-16(27)13-15-19)26(35)23-21(28)22(31-36-23)25(34)30-18-8-4-3-5-9-18/h12-15,17-18,20H,2-11,28H2,1H3,(H,29,33)(H,30,34)/t20-/m1/s1.
What are the key properties of 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 532.11 g/mol, XLogP of 4.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 1156238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).