N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C21H22N4O2S — CID 38808470

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1)C(C)=O
InChIInChI=1S/C21H22N4O2S/c1-4-25(15(3)26)13-16-8-7-9-17(12-16)24-20(27)19-14(2)23-21(28-19)18-10-5-6-11-22-18/h5-12H,4,13H2,1-3H3,(H,24,27)
InChIKeyFRUROWIXFAMBSW-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 38808470) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID38808470
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1)C(C)=O
InChIInChI=1S/C21H22N4O2S/c1-4-25(15(3)26)13-16-8-7-9-17(12-16)24-20(27)19-14(2)23-21(28-19)18-10-5-6-11-22-18/h5-12H,4,13H2,1-3H3,(H,24,27)
InChIKeyFRUROWIXFAMBSW-UHFFFAOYSA-N
XLogP4.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38582896
4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55879949
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55799328
[2-(3-acetylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137084
N-[3-(diethylcarbamoyl)phenyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46547307

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 38808470) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CCN(Cc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FRUROWIXFAMBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-4-25(15(3)26)13-16-8-7-9-17(12-16)24-20(27)19-14(2)23-21(28-19)18-10-5-6-11-22-18/h5-12H,4,13H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38808470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).