4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide

C25H23N3OS — CID 108747886

IUPAC4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H23N3OS/c1-17-23(27-25(30-17)20-7-5-4-6-8-20)18-9-13-21(14-10-18)26-24(29)19-11-15-22(16-12-19)28(2)3/h4-16H,1-3H3,(H,26,29)
InChIKeyYFBFOSUQKSSMSZ-UHFFFAOYSA-N
MW413.55 g/mol
LogP6.10
Rot. Bonds5

About 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide

4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108747886) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108747886
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H23N3OS/c1-17-23(27-25(30-17)20-7-5-4-6-8-20)18-9-13-21(14-10-18)26-24(29)19-11-15-22(16-12-19)28(2)3/h4-16H,1-3H3,(H,26,29)
InChIKeyYFBFOSUQKSSMSZ-UHFFFAOYSA-N
XLogP6.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747975
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 108811485
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 108747866
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108747886) is 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is YFBFOSUQKSSMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-17-23(27-25(30-17)20-7-5-4-6-8-20)18-9-13-21(14-10-18)26-24(29)19-11-15-22(16-12-19)28(2)3/h4-16H,1-3H3,(H,26,29).
What are the key properties of 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 413.55 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108747886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).