N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide

C21H21N3O2S — CID 8967925

IUPACN,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14-23-18(16-7-5-4-6-8-16)19(27-14)21(26)24(3)13-15-9-11-17(12-10-15)20(25)22-2/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyHCWZDBBTXVQXEP-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.75
Rot. Bonds5

About N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide

N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 8967925) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID8967925
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14-23-18(16-7-5-4-6-8-16)19(27-14)21(26)24(3)13-15-9-11-17(12-10-15)20(25)22-2/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyHCWZDBBTXVQXEP-UHFFFAOYSA-N
XLogP3.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide
CID 112837365
1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 38746467
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119358383
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 24640496
N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 47096995
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
CID 24516597

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 8967925) is N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2sc(C)nc2-c2ccccc2)cc1.
What is the InChIKey of N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is HCWZDBBTXVQXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-23-18(16-7-5-4-6-8-16)19(27-14)21(26)24(3)13-15-9-11-17(12-10-15)20(25)22-2/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 8967925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).