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

C25H29N5O4S — CID 25457647

About 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

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 (PubChem CID 25457647) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 25457647
• Molecular Formula: C25H29N5O4S
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.19
• IUPAC Name: 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
• SMILES: Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)o1
• InChI: InChI=1S/C25H29N5O4S/c1-13-8-10-17(12-14(13)2)30(25(33)22-19(26)20(23(27)31)29-35-22)21(18-11-9-15(3)34-18)24(32)28-16-6-4-5-7-16/h8-12,16,21H,4-7,26H2,1-3H3,(H2,27,31)(H,28,32)/t21-/m0/s1
• InChIKey: YEMFROQEPOFYKR-NRFANRHFSA-N
• XLogP: 3.79
• TPSA: 144.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.61
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)o1.

What is the InChIKey of 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?

The InChIKey is YEMFROQEPOFYKR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-13-8-10-17(12-14(13)2)30(25(33)22-19(26)20(23(27)31)29-35-22)21(18-11-9-15(3)34-18)24(32)28-16-6-4-5-7-16/h8-12,16,21H,4-7,26H2,1-3H3,(H2,27,31)(H,28,32)/t21-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 495.61 g/mol, XLogP of 3.79, 7 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)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(3,4-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25457647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).