2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide

C11H17N3O4S2 — CID 72866223

IUPAC2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cs1
InChIInChI=1S/C11H17N3O4S2/c1-8-13-10(7-19-8)11(15)12-5-9-6-14(3-4-18-9)20(2,16)17/h7,9H,3-6H2,1-2H3,(H,12,15)
InChIKeyUBKFRLBOUOJIFI-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.16
Rot. Bonds4

About 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 72866223) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID72866223
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cs1
InChIInChI=1S/C11H17N3O4S2/c1-8-13-10(7-19-8)11(15)12-5-9-6-14(3-4-18-9)20(2,16)17/h7,9H,3-6H2,1-2H3,(H,12,15)
InChIKeyUBKFRLBOUOJIFI-UHFFFAOYSA-N
XLogP-0.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 72866223) is 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cs1.
What is the InChIKey of 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UBKFRLBOUOJIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-8-13-10(7-19-8)11(15)12-5-9-6-14(3-4-18-9)20(2,16)17/h7,9H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72866223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).