N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C16H21N3O3S — CID 47018237

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1
InChIInChI=1S/C16H21N3O3S/c1-10-6-19(7-11(2)22-10)8-13-9-23-16(17-13)18-15(20)14-4-5-21-12(14)3/h4-5,9-11H,6-8H2,1-3H3,(H,17,18,20)
InChIKeySEXMFAYACWVFOG-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.91
Rot. Bonds4

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 47018237) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID47018237
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1
InChIInChI=1S/C16H21N3O3S/c1-10-6-19(7-11(2)22-10)8-13-9-23-16(17-13)18-15(20)14-4-5-21-12(14)3/h4-5,9-11H,6-8H2,1-3H3,(H,17,18,20)
InChIKeySEXMFAYACWVFOG-UHFFFAOYSA-N
XLogP2.91
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 47018237) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is SEXMFAYACWVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-6-19(7-11(2)22-10)8-13-9-23-16(17-13)18-15(20)14-4-5-21-12(14)3/h4-5,9-11H,6-8H2,1-3H3,(H,17,18,20).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 47018237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).