N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide

C18H23N3O2S — CID 71978845

IUPACN-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCc1sc(CN2CCOCC2)nc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-16-18(14-4-6-15(7-5-14)19-13(2)22)20-17(24-16)12-21-8-10-23-11-9-21/h4-7H,3,8-12H2,1-2H3,(H,19,22)
InChIKeyXPAJREWSWBJLAW-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.16
Rot. Bonds5

About N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 71978845) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID71978845
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCc1sc(CN2CCOCC2)nc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-16-18(14-4-6-15(7-5-14)19-13(2)22)20-17(24-16)12-21-8-10-23-11-9-21/h4-7H,3,8-12H2,1-2H3,(H,19,22)
InChIKeyXPAJREWSWBJLAW-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 82227254
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
CID 21135766
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953
4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 94971006
N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 108782871
2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 108750942

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 71978845) is N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide is CCc1sc(CN2CCOCC2)nc1-c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is XPAJREWSWBJLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-16-18(14-4-6-15(7-5-14)19-13(2)22)20-17(24-16)12-21-8-10-23-11-9-21/h4-7H,3,8-12H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 71978845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).