2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

C20H27N3O2S — CID 30136380

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)n2)cc1C
InChIInChI=1S/C20H27N3O2S/c1-12-6-14(3)17(7-13(12)2)18-11-26-20(21-18)22-19(24)10-23-8-15(4)25-16(5)9-23/h6-7,11,15-16H,8-10H2,1-5H3,(H,21,22,24)/t15-,16-/m1/s1
InChIKeyMNTGVMMABXKRLB-HZPDHXFCSA-N
MW373.52 g/mol
LogP3.78
Rot. Bonds4

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 30136380) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID30136380
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)n2)cc1C
InChIInChI=1S/C20H27N3O2S/c1-12-6-14(3)17(7-13(12)2)18-11-26-20(21-18)22-19(24)10-23-8-15(4)25-16(5)9-23/h6-7,11,15-16H,8-10H2,1-5H3,(H,21,22,24)/t15-,16-/m1/s1
InChIKeyMNTGVMMABXKRLB-HZPDHXFCSA-N
XLogP3.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 24593603
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34228221
2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8871898
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 25315739
(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783531
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41188908
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41189202
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 22197983
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-ethylmorpholin-4-yl)acetamide
CID 55590905
2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 30136380) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(C)c(-c2csc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)n2)cc1C.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MNTGVMMABXKRLB-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-12-6-14(3)17(7-13(12)2)18-11-26-20(21-18)22-19(24)10-23-8-15(4)25-16(5)9-23/h6-7,11,15-16H,8-10H2,1-5H3,(H,21,22,24)/t15-,16-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30136380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).