N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide

C17H20FN3O2S — CID 51934042

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCc1nc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)sc1C
InChIInChI=1S/C17H20FN3O2S/c1-11-12(2)24-17(19-11)20-16(22)10-21-7-8-23-15(9-21)13-3-5-14(18)6-4-13/h3-6,15H,7-10H2,1-2H3,(H,19,20,22)/t15-/m1/s1
InChIKeyKUVLCSKKNLKKOP-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.91
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide (PubChem CID 51934042) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
PubChem CID51934042
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCc1nc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)sc1C
InChIInChI=1S/C17H20FN3O2S/c1-11-12(2)24-17(19-11)20-16(22)10-21-7-8-23-15(9-21)13-3-5-14(18)6-4-13/h3-6,15H,7-10H2,1-2H3,(H,19,20,22)/t15-/m1/s1
InChIKeyKUVLCSKKNLKKOP-OAHLLOKOSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 91829347
N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 36874378
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
CID 55566264
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55566155
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571445
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42888495
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]acetamide
CID 16674311
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 42949577
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 46571477

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide (CID 51934042) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide is Cc1nc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The InChIKey is KUVLCSKKNLKKOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11-12(2)24-17(19-11)20-16(22)10-21-7-8-23-15(9-21)13-3-5-14(18)6-4-13/h3-6,15H,7-10H2,1-2H3,(H,19,20,22)/t15-/m1/s1.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 51934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).