4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 110387457

IUPAC4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCOCC2)sc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-13(15-6-4-3-5-7-15)20-18(22)17-14(2)19-16(24-17)12-21-8-10-23-11-9-21/h3-7,13H,8-12H2,1-2H3,(H,20,22)
InChIKeyJDRWKFJLDFMFNK-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.77
Rot. Bonds5

About 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387457) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387457
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCOCC2)sc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-13(15-6-4-3-5-7-15)20-18(22)17-14(2)19-16(24-17)12-21-8-10-23-11-9-21/h3-7,13H,8-12H2,1-2H3,(H,20,22)
InChIKeyJDRWKFJLDFMFNK-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387463
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 91406952
4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 94971006
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (CID 110387457) is 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN2CCOCC2)sc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JDRWKFJLDFMFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(15-6-4-3-5-7-15)20-18(22)17-14(2)19-16(24-17)12-21-8-10-23-11-9-21/h3-7,13H,8-12H2,1-2H3,(H,20,22).
What are the key properties of 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).