4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

C24H29N5O4S — CID 3179518

IUPAC4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(C(C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1
InChIInChI=1S/C24H29N5O4S/c1-14(2)10-11-27-23(31)20(16-8-6-15(3)7-9-16)29(13-17-5-4-12-33-17)24(32)21-18(25)19(22(26)30)28-34-21/h4-9,12,14,20H,10-11,13,25H2,1-3H3,(H2,26,30)(H,27,31)
InChIKeyZSRPNCBMXLBNAQ-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.27
Rot. Bonds10

About 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3179518) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3179518
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(C(C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1
InChIInChI=1S/C24H29N5O4S/c1-14(2)10-11-27-23(31)20(16-8-6-15(3)7-9-16)29(13-17-5-4-12-33-17)24(32)21-18(25)19(22(26)30)28-34-21/h4-9,12,14,20H,10-11,13,25H2,1-3H3,(H2,26,30)(H,27,31)
InChIKeyZSRPNCBMXLBNAQ-UHFFFAOYSA-N
XLogP3.27
TPSA144.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-N-benzyl-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179512
4-amino-5-N-benzyl-5-N-[(1S)-1-(4-chlorophenyl)-2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40586627
4-amino-5-N-[(1S)-2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 40581204
4-amino-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3179520
4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1S)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25311891
4-amino-5-N-[1-[4-(dimethylamino)phenyl]-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3189049
4-amino-5-N-(2-fluorophenyl)-5-N-[(1S)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25311914
4-amino-5-N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-N-cyclohexyl-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3182072
4-amino-5-N-(2-methoxyphenyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179533
4-amino-5-N-[1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-5-N-[(2-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3185796
4-amino-5-N-(3-fluorophenyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179529
4-amino-5-N-(furan-2-ylmethyl)-5-N-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25304089

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (CID 3179518) is 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is Cc1ccc(C(C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1.
What is the InChIKey of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is ZSRPNCBMXLBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-14(2)10-11-27-23(31)20(16-8-6-15(3)7-9-16)29(13-17-5-4-12-33-17)24(32)21-18(25)19(22(26)30)28-34-21/h4-9,12,14,20H,10-11,13,25H2,1-3H3,(H2,26,30)(H,27,31).
What are the key properties of 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.27, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3179518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).