N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride

C12H20ClN3O2S — CID 118741727

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2(C)CN(C)CCO2)sc1C.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8-9(2)18-11(13-8)14-10(16)12(3)7-15(4)5-6-17-12;/h5-7H2,1-4H3,(H,13,14,16);1H
InChIKeySKMMALDCJCWDBG-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.84
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride (PubChem CID 118741727) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride
PubChem CID118741727
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2(C)CN(C)CCO2)sc1C.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8-9(2)18-11(13-8)14-10(16)12(3)7-15(4)5-6-17-12;/h5-7H2,1-4H3,(H,13,14,16);1H
InChIKeySKMMALDCJCWDBG-UHFFFAOYSA-N
XLogP1.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride (CID 118741727) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride is Cc1nc(NC(=O)C2(C)CN(C)CCO2)sc1C.Cl.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is SKMMALDCJCWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-8-9(2)18-11(13-8)14-10(16)12(3)7-15(4)5-6-17-12;/h5-7H2,1-4H3,(H,13,14,16);1H.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 118741727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).