4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide

C26H27F2N5O3S — CID 3190431

IUPAC4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NCc1ccc(F)cc1)N(C(=O)c1snc(C(=O)NC2CCCC2)c1N)c1ccc(F)cc1
InChIInChI=1S/C26H27F2N5O3S/c1-15(24(34)30-14-16-6-8-17(27)9-7-16)33(20-12-10-18(28)11-13-20)26(36)23-21(29)22(32-37-23)25(35)31-19-4-2-3-5-19/h6-13,15,19H,2-5,14,29H2,1H3,(H,30,34)(H,31,35)
InChIKeyIPPSVGTWXVYRDI-UHFFFAOYSA-N
MW527.60 g/mol
LogP4.03
Rot. Bonds8

About 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide

4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3190431) has the molecular formula C26H27F2N5O3S and a molecular weight of 527.60 g/mol. Its IUPAC name is 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3190431
Molecular FormulaC26H27F2N5O3S
Molecular Weight527.60 g/mol
Exact Mass527.18
IUPAC Name4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NCc1ccc(F)cc1)N(C(=O)c1snc(C(=O)NC2CCCC2)c1N)c1ccc(F)cc1
InChIInChI=1S/C26H27F2N5O3S/c1-15(24(34)30-14-16-6-8-17(27)9-7-16)33(20-12-10-18(28)11-13-20)26(36)23-21(29)22(32-37-23)25(35)31-19-4-2-3-5-19/h6-13,15,19H,2-5,14,29H2,1H3,(H,30,34)(H,31,35)
InChIKeyIPPSVGTWXVYRDI-UHFFFAOYSA-N
XLogP4.03
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-N-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3745535
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-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 3190439
4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3174456
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
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-[(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-(benzylamino)-2-oxoethyl]-3-N-cyclohexyl-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 1156809
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-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-N-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3174299
4-amino-3-N-cyclohexyl-5-N-[(4-fluorophenyl)methyl]-5-N-[2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3182092
4-amino-5-N-(2-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3190429

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide (CID 3190431) is 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide is CC(C(=O)NCc1ccc(F)cc1)N(C(=O)c1snc(C(=O)NC2CCCC2)c1N)c1ccc(F)cc1.
What is the InChIKey of 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is IPPSVGTWXVYRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O3S/c1-15(24(34)30-14-16-6-8-17(27)9-7-16)33(20-12-10-18(28)11-13-20)26(36)23-21(29)22(32-37-23)25(35)31-19-4-2-3-5-19/h6-13,15,19H,2-5,14,29H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 527.60 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3190431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).