N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide

C15H21N3O2S — CID 110743297

IUPACN-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN1CCOC(c2ccc(NC(=O)C3CSCN3)cc2)C1
InChIInChI=1S/C15H21N3O2S/c1-18-6-7-20-14(8-18)11-2-4-12(5-3-11)17-15(19)13-9-21-10-16-13/h2-5,13-14,16H,6-10H2,1H3,(H,17,19)
InChIKeyMDVUBKDLZWAXCH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.29
Rot. Bonds3

About N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide

N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110743297) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110743297
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN1CCOC(c2ccc(NC(=O)C3CSCN3)cc2)C1
InChIInChI=1S/C15H21N3O2S/c1-18-6-7-20-14(8-18)11-2-4-12(5-3-11)17-15(19)13-9-21-10-16-13/h2-5,13-14,16H,6-10H2,1H3,(H,17,19)
InChIKeyMDVUBKDLZWAXCH-UHFFFAOYSA-N
XLogP1.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[4-(4-methylmorpholin-2-yl)phenyl]butanamide
CID 110720339
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 79081953
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119279210
2-(4-fluorophenoxy)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
CID 110720390
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 24698635
N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697835
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
N-ethyl-4-(4-methylmorpholin-2-yl)aniline
CID 70934947

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 110743297) is N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide is CN1CCOC(c2ccc(NC(=O)C3CSCN3)cc2)C1.
What is the InChIKey of N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MDVUBKDLZWAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-18-6-7-20-14(8-18)11-2-4-12(5-3-11)17-15(19)13-9-21-10-16-13/h2-5,13-14,16H,6-10H2,1H3,(H,17,19).
What are the key properties of N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylmorpholin-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110743297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).