N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide

C18H23N3O2S — CID 110620258

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1nc(CCNC(=O)Cc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C18H23N3O2S/c1-14-20-16(13-24-14)6-7-19-18(22)12-15-2-4-17(5-3-15)21-8-10-23-11-9-21/h2-5,13H,6-12H2,1H3,(H,19,22)
InChIKeyTWSWPUCTRINNDO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 110620258) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
PubChem CID110620258
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1nc(CCNC(=O)Cc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C18H23N3O2S/c1-14-20-16(13-24-14)6-7-19-18(22)12-15-2-4-17(5-3-15)21-8-10-23-11-9-21/h2-5,13H,6-12H2,1H3,(H,19,22)
InChIKeyTWSWPUCTRINNDO-UHFFFAOYSA-N
XLogP2.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
2-(4-carbamothioylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106035385
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid
CID 43665653
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525976
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 94052563
1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029050
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 39967725

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide (CID 110620258) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide is Cc1nc(CCNC(=O)Cc2ccc(N3CCOCC3)cc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is TWSWPUCTRINNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-20-16(13-24-14)6-7-19-18(22)12-15-2-4-17(5-3-15)21-8-10-23-11-9-21/h2-5,13H,6-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110620258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).