2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide

C18H20FN3O3S2 — CID 55335910

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2nc(CN3CCOCC3)cs2)c(F)c1
InChIInChI=1S/C18H20FN3O3S2/c1-12(23)13-2-3-16(15(19)8-13)26-11-17(24)21-18-20-14(10-27-18)9-22-4-6-25-7-5-22/h2-3,8,10H,4-7,9,11H2,1H3,(H,20,21,24)
InChIKeyHMWZPCRTSYTYRB-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55335910) has the molecular formula C18H20FN3O3S2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55335910
Molecular FormulaC18H20FN3O3S2
Molecular Weight409.51 g/mol
Exact Mass409.09
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2nc(CN3CCOCC3)cs2)c(F)c1
InChIInChI=1S/C18H20FN3O3S2/c1-12(23)13-2-3-16(15(19)8-13)26-11-17(24)21-18-20-14(10-27-18)9-22-4-6-25-7-5-22/h2-3,8,10H,4-7,9,11H2,1H3,(H,20,21,24)
InChIKeyHMWZPCRTSYTYRB-UHFFFAOYSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 86799147
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
CID 94649834
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
methyl 2-[2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8837204
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 30547785
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 55335910) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)c1ccc(SCC(=O)Nc2nc(CN3CCOCC3)cs2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HMWZPCRTSYTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S2/c1-12(23)13-2-3-16(15(19)8-13)26-11-17(24)21-18-20-14(10-27-18)9-22-4-6-25-7-5-22/h2-3,8,10H,4-7,9,11H2,1H3,(H,20,21,24).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55335910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).