N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C25H29N3O2S — CID 4603905

IUPACN-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2ccccc2)C(C(=O)NC(C)(C)C)c2ccccc2)s1
InChIInChI=1S/C25H29N3O2S/c1-17-22(31-18(2)26-17)24(30)28(16-19-12-8-6-9-13-19)21(20-14-10-7-11-15-20)23(29)27-25(3,4)5/h6-15,21H,16H2,1-5H3,(H,27,29)
InChIKeyZXPRQCUZSSZQQM-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.06
Rot. Bonds6

About N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 4603905) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID4603905
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2ccccc2)C(C(=O)NC(C)(C)C)c2ccccc2)s1
InChIInChI=1S/C25H29N3O2S/c1-17-22(31-18(2)26-17)24(30)28(16-19-12-8-6-9-13-19)21(20-14-10-7-11-15-20)23(29)27-25(3,4)5/h6-15,21H,16H2,1-5H3,(H,27,29)
InChIKeyZXPRQCUZSSZQQM-UHFFFAOYSA-N
XLogP5.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3816372
4-amino-5-N-benzyl-5-N-[(1S)-2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40581161
4-amino-5-N-benzyl-5-N-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3178885
4-amino-5-N-benzyl-5-N-[(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40581132
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25315394
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
N-benzyl-N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222172
4-amino-5-N-benzyl-5-N-[(1S)-2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40629391
4-amino-5-N-benzyl-5-N-[2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3174424
N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide
CID 3432317
N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 3226640
2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide
CID 11004638

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 4603905) is N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(Cc2ccccc2)C(C(=O)NC(C)(C)C)c2ccccc2)s1.
What is the InChIKey of N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZXPRQCUZSSZQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-17-22(31-18(2)26-17)24(30)28(16-19-12-8-6-9-13-19)21(20-14-10-7-11-15-20)23(29)27-25(3,4)5/h6-15,21H,16H2,1-5H3,(H,27,29).
What are the key properties of N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4603905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).