(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide

C14H17N3O2S2 — CID 96575284

IUPAC(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C14H17N3O2S2/c1-17(14(18)11-7-15-4-5-19-11)8-10-9-21-13(16-10)12-3-2-6-20-12/h2-3,6,9,11,15H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyIXSSKWIKKWFQRQ-LLVKDONJSA-N
MW323.44 g/mol
LogP1.82
Rot. Bonds4

About (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide

(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide (PubChem CID 96575284) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
PubChem CID96575284
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C14H17N3O2S2/c1-17(14(18)11-7-15-4-5-19-11)8-10-9-21-13(16-10)12-3-2-6-20-12/h2-3,6,9,11,15H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyIXSSKWIKKWFQRQ-LLVKDONJSA-N
XLogP1.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70774862
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95893760
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 70754339
(2R)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124557647
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119532609
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368
2-methoxy-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70744145
N-(1H-imidazol-2-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 64519803

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide (CID 96575284) is (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide is CN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The InChIKey is IXSSKWIKKWFQRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-17(14(18)11-7-15-4-5-19-11)8-10-9-21-13(16-10)12-3-2-6-20-12/h2-3,6,9,11,15H,4-5,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 96575284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).