N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C21H29N3O2S — CID 24633623

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C21H29N3O2S/c1-14-11-24(12-15(2)26-14)21(4,5)13-22-19(25)18-16(3)23-20(27-18)17-9-7-6-8-10-17/h6-10,14-15H,11-13H2,1-5H3,(H,22,25)
InChIKeySVPLKFWYXJRBOV-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 24633623) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID24633623
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C21H29N3O2S/c1-14-11-24(12-15(2)26-14)21(4,5)13-22-19(25)18-16(3)23-20(27-18)17-9-7-6-8-10-17/h6-10,14-15H,11-13H2,1-5H3,(H,22,25)
InChIKeySVPLKFWYXJRBOV-UHFFFAOYSA-N
XLogP3.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 24633623) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)N1CC(C)OC(C)C1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SVPLKFWYXJRBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-14-11-24(12-15(2)26-14)21(4,5)13-22-19(25)18-16(3)23-20(27-18)17-9-7-6-8-10-17/h6-10,14-15H,11-13H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24633623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).