2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide

C15H18N4O2S — CID 60577463

IUPAC2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(-c3csnn3)cc2)CC(C)O1
InChIInChI=1S/C15H18N4O2S/c1-10-7-19(8-11(2)21-10)15(20)16-13-5-3-12(4-6-13)14-9-22-18-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,20)
InChIKeyGDMGWRHWHSAJCQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.85
Rot. Bonds2

About 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide

2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide (PubChem CID 60577463) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
PubChem CID60577463
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(-c3csnn3)cc2)CC(C)O1
InChIInChI=1S/C15H18N4O2S/c1-10-7-19(8-11(2)21-10)15(20)16-13-5-3-12(4-6-13)14-9-22-18-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,20)
InChIKeyGDMGWRHWHSAJCQ-UHFFFAOYSA-N
XLogP2.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077826
4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide
CID 75442026
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide
CID 95571020
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120924476

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide (CID 60577463) is 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2ccc(-c3csnn3)cc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is GDMGWRHWHSAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-7-19(8-11(2)21-10)15(20)16-13-5-3-12(4-6-13)14-9-22-18-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,20).
What are the key properties of 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide?
2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 60577463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).