3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide

C24H28N2OS — CID 19221286

IUPAC3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1C
InChIInChI=1S/C24H28N2OS/c1-16-6-10-19(14-17(16)2)21-15-28-23(25-21)26-22(27)13-9-18-7-11-20(12-8-18)24(3,4)5/h6-8,10-12,14-15H,9,13H2,1-5H3,(H,25,26,27)
InChIKeyVULUMPZKVJCDLX-UHFFFAOYSA-N
MW392.57 g/mol
LogP6.30
Rot. Bonds5

About 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide

3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19221286) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19221286
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC Name3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1C
InChIInChI=1S/C24H28N2OS/c1-16-6-10-19(14-17(16)2)21-15-28-23(25-21)26-22(27)13-9-18-7-11-20(12-8-18)24(3,4)5/h6-8,10-12,14-15H,9,13H2,1-5H3,(H,25,26,27)
InChIKeyVULUMPZKVJCDLX-UHFFFAOYSA-N
XLogP6.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 134041781
N-[3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630647
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide
CID 41086080
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 19221286) is 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1C.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VULUMPZKVJCDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-16-6-10-19(14-17(16)2)21-15-28-23(25-21)26-22(27)13-9-18-7-11-20(12-8-18)24(3,4)5/h6-8,10-12,14-15H,9,13H2,1-5H3,(H,25,26,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 392.57 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19221286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).