N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C20H20N4O2S — CID 78816277

IUPACN,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2sc(-c3ccccn3)nc2C)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-7-9-15(10-8-13)23-17(25)12-24(3)20(26)18-14(2)22-19(27-18)16-6-4-5-11-21-16/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyZUEUHINFQGBQSC-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.53
Rot. Bonds5

About N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 78816277) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID78816277
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2sc(-c3ccccn3)nc2C)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-7-9-15(10-8-13)23-17(25)12-24(3)20(26)18-14(2)22-19(27-18)16-6-4-5-11-21-16/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyZUEUHINFQGBQSC-UHFFFAOYSA-N
XLogP3.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18109857
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 55406141
N,4-dimethyl-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24515264
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
4-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816429
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55920129
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17492594
N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55799328

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 78816277) is N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2sc(-c3ccccn3)nc2C)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZUEUHINFQGBQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-7-9-15(10-8-13)23-17(25)12-24(3)20(26)18-14(2)22-19(27-18)16-6-4-5-11-21-16/h4-11H,12H2,1-3H3,(H,23,25).
What are the key properties of N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78816277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).