N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C23H30N4O3S — CID 78836411

IUPACN-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(CN3CCCC(C(=O)N4CCOCC4)C3)cs2)cc1
InChIInChI=1S/C23H30N4O3S/c1-17-4-6-19(7-5-17)24-21(28)13-22-25-20(16-31-22)15-26-8-2-3-18(14-26)23(29)27-9-11-30-12-10-27/h4-7,16,18H,2-3,8-15H2,1H3,(H,24,28)
InChIKeyPWYBMJDATIEYRY-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.70
Rot. Bonds6

About N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78836411) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78836411
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(CN3CCCC(C(=O)N4CCOCC4)C3)cs2)cc1
InChIInChI=1S/C23H30N4O3S/c1-17-4-6-19(7-5-17)24-21(28)13-22-25-20(16-31-22)15-26-8-2-3-18(14-26)23(29)27-9-11-30-12-10-27/h4-7,16,18H,2-3,8-15H2,1H3,(H,24,28)
InChIKeyPWYBMJDATIEYRY-UHFFFAOYSA-N
XLogP2.70
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 11940369
2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
N-(2-methylphenyl)-2-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 86976652
N-cyclopropyl-2-[4-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 78831738
ethyl 1-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylate
CID 78787377
[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24791417
2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9006638
2-[4-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 112773553
2-[4-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 41105532
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 78836411) is N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccc(NC(=O)Cc2nc(CN3CCCC(C(=O)N4CCOCC4)C3)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PWYBMJDATIEYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-17-4-6-19(7-5-17)24-21(28)13-22-25-20(16-31-22)15-26-8-2-3-18(14-26)23(29)27-9-11-30-12-10-27/h4-7,16,18H,2-3,8-15H2,1H3,(H,24,28).
What are the key properties of N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 442.59 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78836411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).