N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C27H27N3O3S — CID 1457797

IUPACN-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NCc2ccco2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H27N3O3S/c1-17-12-13-23(18(2)15-17)30(27(32)25-19(3)29-20(4)34-25)24(21-9-6-5-7-10-21)26(31)28-16-22-11-8-14-33-22/h5-15,24H,16H2,1-4H3,(H,28,31)/t24-/m0/s1
InChIKeyUACUYWAAQJLOOA-DEOSSOPVSA-N
MW473.60 g/mol
LogP5.67
Rot. Bonds7

About N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 1457797) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID1457797
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC NameN-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NCc2ccco2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H27N3O3S/c1-17-12-13-23(18(2)15-17)30(27(32)25-19(3)29-20(4)34-25)24(21-9-6-5-7-10-21)26(31)28-16-22-11-8-14-33-22/h5-15,24H,16H2,1-4H3,(H,28,31)/t24-/m0/s1
InChIKeyUACUYWAAQJLOOA-DEOSSOPVSA-N
XLogP5.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 3215380
N-(3-chloro-4-methoxyphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457831
N-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215374
N-(2,5-dimethylphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315115
N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 3226640
2,4-dimethyl-N-(3-methylphenyl)-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315140
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
N-(2-fluorophenyl)-2,4-dimethyl-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 1457770
N-(3,4-dimethylphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 3215347
N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3215519
N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315223
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 1457797) is N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NCc2ccco2)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UACUYWAAQJLOOA-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-17-12-13-23(18(2)15-17)30(27(32)25-19(3)29-20(4)34-25)24(21-9-6-5-7-10-21)26(31)28-16-22-11-8-14-33-22/h5-15,24H,16H2,1-4H3,(H,28,31)/t24-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1457797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).