N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide

C16H20N4O2S — CID 95981592

IUPACN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnns1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H20N4O2S/c1-12(18-16(21)15-9-17-19-23-15)14-11-20(7-8-22-14)10-13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,18,21)/t12-,14+/m1/s1
InChIKeyCWXIVYOXNXRNKR-OCCSQVGLSA-N
MW332.43 g/mol
LogP1.56
Rot. Bonds5

About N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide (PubChem CID 95981592) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide
PubChem CID95981592
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnns1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H20N4O2S/c1-12(18-16(21)15-9-17-19-23-15)14-11-20(7-8-22-14)10-13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,18,21)/t12-,14+/m1/s1
InChIKeyCWXIVYOXNXRNKR-OCCSQVGLSA-N
XLogP1.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 95981601
N-[(1R)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 95775940
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981589
1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 96835180
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
6-[[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]amino]pyridine-3-carbonitrile
CID 97216224

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide (CID 95981592) is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide is C[C@@H](NC(=O)c1cnns1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide?
The InChIKey is CWXIVYOXNXRNKR-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12(18-16(21)15-9-17-19-23-15)14-11-20(7-8-22-14)10-13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,18,21)/t12-,14+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide?
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 95981592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).