N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide

C20H22N4O2S — CID 110341826

IUPACN-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cn1
InChIInChI=1S/C20H22N4O2S/c1-13-5-10-17(11-21-13)26-12-18-22-14(2)19(27-18)20(25)23-15-6-8-16(9-7-15)24(3)4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyAKUFPWCPEALUIP-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.05
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide

N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide (PubChem CID 110341826) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide
PubChem CID110341826
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cn1
InChIInChI=1S/C20H22N4O2S/c1-13-5-10-17(11-21-13)26-12-18-22-14(2)19(27-18)20(25)23-15-6-8-16(9-7-15)24(3)4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyAKUFPWCPEALUIP-UHFFFAOYSA-N
XLogP4.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
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-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110342039
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110341749
2-[(4-tert-butylphenoxy)methyl]-N-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35271114
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 28936138
methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 110342034

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide (CID 110341826) is N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide is Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AKUFPWCPEALUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-5-10-17(11-21-13)26-12-18-22-14(2)19(27-18)20(25)23-15-6-8-16(9-7-15)24(3)4/h5-11H,12H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide?
N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110341826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).