2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

C20H21N3O2S — CID 110387303

IUPAC2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN(C)C)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-19(26-18(21-14)13-23(2)3)20(24)22-15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyHFVXPGMVZZKUOP-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.56
Rot. Bonds6

About 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387303) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID110387303
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN(C)C)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-19(26-18(21-14)13-23(2)3)20(24)22-15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyHFVXPGMVZZKUOP-UHFFFAOYSA-N
XLogP4.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110387274
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154346
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110387311
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 51122639
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 50845464
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (CID 110387303) is 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN(C)C)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HFVXPGMVZZKUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-19(26-18(21-14)13-23(2)3)20(24)22-15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).