2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide

C20H27N3O2S — CID 24642445

IUPAC2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCC2CN(CC(C)C)CCO2)s1
InChIInChI=1S/C20H27N3O2S/c1-14(2)12-23-9-10-25-17(13-23)11-21-20(24)19-18(22-15(3)26-19)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H,21,24)
InChIKeyYCUKIKUBBWGDGX-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.21
Rot. Bonds6

About 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide

2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 24642445) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID24642445
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCC2CN(CC(C)C)CCO2)s1
InChIInChI=1S/C20H27N3O2S/c1-14(2)12-23-9-10-25-17(13-23)11-21-20(24)19-18(22-15(3)26-19)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H,21,24)
InChIKeyYCUKIKUBBWGDGX-UHFFFAOYSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 30469024
1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 55535969
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56559807
2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 24642445) is 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NCC2CN(CC(C)C)CCO2)s1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YCUKIKUBBWGDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14(2)12-23-9-10-25-17(13-23)11-21-20(24)19-18(22-15(3)26-19)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24642445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).