2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 49014551

IUPAC2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCCN3CCOCC3)s2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-13-3-4-15(14(2)11-13)18-20-12-16(24-18)17(22)19-5-6-21-7-9-23-10-8-21/h3-4,11-12H,5-10H2,1-2H3,(H,19,22)
InChIKeyNIZHUEMPEQDDOV-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.49
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 49014551) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID49014551
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCCN3CCOCC3)s2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-13-3-4-15(14(2)11-13)18-20-12-16(24-18)17(22)19-5-6-21-7-9-23-10-8-21/h3-4,11-12H,5-10H2,1-2H3,(H,19,22)
InChIKeyNIZHUEMPEQDDOV-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326282
2-[(2-methylpyrazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117080435
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
CID 109167966
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083747
2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117084432
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 49014551) is 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2ncc(C(=O)NCCN3CCOCC3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NIZHUEMPEQDDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-3-4-15(14(2)11-13)18-20-12-16(24-18)17(22)19-5-6-21-7-9-23-10-8-21/h3-4,11-12H,5-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49014551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).