N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide

C11H19N5O2S — CID 83103084

IUPACN-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1nnc(NC)s1
InChIInChI=1S/C11H19N5O2S/c1-3-13-10(17)8-7-18-5-4-16(8)6-9-14-15-11(12-2)19-9/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyQOILHLROVNZVCR-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.08
Rot. Bonds5

About N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide

N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 83103084) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
PubChem CID83103084
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1nnc(NC)s1
InChIInChI=1S/C11H19N5O2S/c1-3-13-10(17)8-7-18-5-4-16(8)6-9-14-15-11(12-2)19-9/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyQOILHLROVNZVCR-UHFFFAOYSA-N
XLogP-0.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83096013
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
CID 83095661
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 80606665
N-ethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83103290
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 106993901
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83103789
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83105317
N-ethyl-4-[[6-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83105484
N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
CID 83101761
4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
CID 83099476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide (CID 83103084) is N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1Cc1nnc(NC)s1.
What is the InChIKey of N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is QOILHLROVNZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-13-10(17)8-7-18-5-4-16(8)6-9-14-15-11(12-2)19-9/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17).
What are the key properties of N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83103084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).