4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

C23H25N5O4S — CID 25448131

IUPAC4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C23H25N5O4S/c1-13-7-2-5-10-15(13)28(23(31)20-17(24)18(21(25)29)27-33-20)19(16-11-6-12-32-16)22(30)26-14-8-3-4-9-14/h2,5-7,10-12,14,19H,3-4,8-9,24H2,1H3,(H2,25,29)(H,26,30)/t19-/m0/s1
InChIKeyOXWDUIGNHMGUND-IBGZPJMESA-N
MW467.55 g/mol
LogP3.17
Rot. Bonds7

About 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 25448131) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID25448131
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C23H25N5O4S/c1-13-7-2-5-10-15(13)28(23(31)20-17(24)18(21(25)29)27-33-20)19(16-11-6-12-32-16)22(30)26-14-8-3-4-9-14/h2,5-7,10-12,14,19H,3-4,8-9,24H2,1H3,(H2,25,29)(H,26,30)/t19-/m0/s1
InChIKeyOXWDUIGNHMGUND-IBGZPJMESA-N
XLogP3.17
TPSA144.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(3,4-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180351
4-amino-5-N-[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180075
4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180294
4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(2,5-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25457807
4-amino-5-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(2,5-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25457796
4-amino-5-N-[(1R)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-(2,5-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25446877
4-amino-5-N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-5-N-(2-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3177690
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-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-5-N-(2-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3177682
4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(2-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40664792
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 98094794
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 93473320

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 25448131) is 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccco1.
What is the InChIKey of 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is OXWDUIGNHMGUND-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-13-7-2-5-10-15(13)28(23(31)20-17(24)18(21(25)29)27-33-20)19(16-11-6-12-32-16)22(30)26-14-8-3-4-9-14/h2,5-7,10-12,14,19H,3-4,8-9,24H2,1H3,(H2,25,29)(H,26,30)/t19-/m0/s1.
What are the key properties of 4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.17, 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-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25448131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).