N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide

C11H17N3O2S — CID 164634637

IUPACN,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(N2CCO[C@@H](C)C2)nc1C
InChIInChI=1S/C11H17N3O2S/c1-7-6-14(4-5-16-7)11-13-8(2)9(17-11)10(15)12-3/h7H,4-6H2,1-3H3,(H,12,15)/t7-/m0/s1
InChIKeyMZKIENYHPGHLCA-ZETCQYMHSA-N
MW255.34 g/mol
LogP1.04
Rot. Bonds2

About N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 164634637) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID164634637
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(N2CCO[C@@H](C)C2)nc1C
InChIInChI=1S/C11H17N3O2S/c1-7-6-14(4-5-16-7)11-13-8(2)9(17-11)10(15)12-3/h7H,4-6H2,1-3H3,(H,12,15)/t7-/m0/s1
InChIKeyMZKIENYHPGHLCA-ZETCQYMHSA-N
XLogP1.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide (CID 164634637) is N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(N2CCO[C@@H](C)C2)nc1C.
What is the InChIKey of N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is MZKIENYHPGHLCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-6-14(4-5-16-7)11-13-8(2)9(17-11)10(15)12-3/h7H,4-6H2,1-3H3,(H,12,15)/t7-/m0/s1.
What are the key properties of N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164634637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).