4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide

C8H13N5O2S — CID 83096189

IUPAC4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1nnsc1N
InChIInChI=1S/C8H13N5O2S/c9-7(14)6-4-15-2-1-13(6)3-5-8(10)16-12-11-5/h6H,1-4,10H2,(H2,9,14)
InChIKeyUSALRSDGAQAVES-UHFFFAOYSA-N
MW243.29 g/mol
LogP-1.19
Rot. Bonds3

About 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide

4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide (PubChem CID 83096189) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide
PubChem CID83096189
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC Name4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1nnsc1N
InChIInChI=1S/C8H13N5O2S/c9-7(14)6-4-15-2-1-13(6)3-5-8(10)16-12-11-5/h6H,1-4,10H2,(H2,9,14)
InChIKeyUSALRSDGAQAVES-UHFFFAOYSA-N
XLogP-1.19
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholine-3-carboxamide
CID 83095925
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
CID 83095661
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83096013
4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
CID 83096042
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[(2-amino-6-bromophenyl)methyl]morpholine-3-carboxamide
CID 83102348

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide (CID 83096189) is 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1nnsc1N.
What is the InChIKey of 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide?
The InChIKey is USALRSDGAQAVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c9-7(14)6-4-15-2-1-13(6)3-5-8(10)16-12-11-5/h6H,1-4,10H2,(H2,9,14).
What are the key properties of 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide?
4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).