N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C20H21N3O2S — CID 110389468

IUPACN-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(CCc3ccncc3)nc2C)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-25-17-7-5-16(6-8-17)23-20(24)19-14(2)22-18(26-19)9-4-15-10-12-21-13-11-15/h5-8,10-13H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyQMZFSPCYGIEWKA-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.28
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110389468) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110389468
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(CCc3ccncc3)nc2C)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-25-17-7-5-16(6-8-17)23-20(24)19-14(2)22-18(26-19)9-4-15-10-12-21-13-11-15/h5-8,10-13H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyQMZFSPCYGIEWKA-UHFFFAOYSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-propan-2-yl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389378
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389448
4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 51122639
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696380
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 110389468) is N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2sc(CCc3ccncc3)nc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QMZFSPCYGIEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-25-17-7-5-16(6-8-17)23-20(24)19-14(2)22-18(26-19)9-4-15-10-12-21-13-11-15/h5-8,10-13H,3-4,9H2,1-2H3,(H,23,24).
What are the key properties of N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110389468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).