4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

C20H21N3O2S — CID 122570879

IUPAC4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C)c(-c2ccc(C(=O)NCCc3scnc3C)cc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-13-10-19(25-3)22-11-17(13)15-4-6-16(7-5-15)20(24)21-9-8-18-14(2)23-12-26-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)
InChIKeyYMPYHXSOFSXUCM-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.80
Rot. Bonds6

About 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 122570879) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID122570879
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C)c(-c2ccc(C(=O)NCCc3scnc3C)cc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-13-10-19(25-3)22-11-17(13)15-4-6-16(7-5-15)20(24)21-9-8-18-14(2)23-12-26-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)
InChIKeyYMPYHXSOFSXUCM-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
4-(5-methylfuran-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 131898687
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 28666996
4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122560927
4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122570345
5-[4-(3-methoxypropylamino)pyrimidin-2-yl]-2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 178165929
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 122570879) is 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is COc1cc(C)c(-c2ccc(C(=O)NCCc3scnc3C)cc2)cn1.
What is the InChIKey of 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is YMPYHXSOFSXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-10-19(25-3)22-11-17(13)15-4-6-16(7-5-15)20(24)21-9-8-18-14(2)23-12-26-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,24).
What are the key properties of 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 122570879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).