2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide

C15H17N3O2S — CID 67242079

IUPAC2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C3CNCCO3)cc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-10-17-13(9-21-10)15(19)18-12-4-2-11(3-5-12)14-8-16-6-7-20-14/h2-5,9,14,16H,6-8H2,1H3,(H,18,19)
InChIKeyJEQFKXKYXLHVQE-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide

2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67242079) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID67242079
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C3CNCCO3)cc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-10-17-13(9-21-10)15(19)18-12-4-2-11(3-5-12)14-8-16-6-7-20-14/h2-5,9,14,16H,6-8H2,1H3,(H,18,19)
InChIKeyJEQFKXKYXLHVQE-UHFFFAOYSA-N
XLogP2.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 67238694
N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 67238911
2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 67240408
2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155557378
US10508107, Example 16
CID 124566186
US10508107, Example 19
CID 130452065
Methyl p-[({4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}methyl)carbonylamino]benzoate
CID 30486291
N-(isochroman-3-ylmethyl)-N,2-dimethylthiazole-4-carboxamide
CID 91626558
N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 95160402
N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide
CID 99840633
2-[[3-(dimethylamino)phenyl]-hydroxymethyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71729655
Propan-2-yl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 3278997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 67242079) is 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C3CNCCO3)cc2)cs1.
What is the InChIKey of 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JEQFKXKYXLHVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-17-13(9-21-10)15(19)18-12-4-2-11(3-5-12)14-8-16-6-7-20-14/h2-5,9,14,16H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67242079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).