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

C9H15N5O2S — CID 83096013

IUPAC4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
SMILESCNc1nnc(CN2CCOCC2C(N)=O)s1
InChIInChI=1S/C9H15N5O2S/c1-11-9-13-12-7(17-9)4-14-2-3-16-5-6(14)8(10)15/h6H,2-5H2,1H3,(H2,10,15)(H,11,13)
InChIKeyJJWICRMCXJPSHF-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.73
Rot. Bonds4

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

4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 83096013) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
PubChem CID83096013
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
SMILESCNc1nnc(CN2CCOCC2C(N)=O)s1
InChIInChI=1S/C9H15N5O2S/c1-11-9-13-12-7(17-9)4-14-2-3-16-5-6(14)8(10)15/h6H,2-5H2,1H3,(H2,10,15)(H,11,13)
InChIKeyJJWICRMCXJPSHF-UHFFFAOYSA-N
XLogP-0.73
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
CID 83095661
N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83103084
4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholine-3-carboxamide
CID 83095925
4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide
CID 83096189
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 83095890
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
CID 83096042
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-[[2-(methylamino)-5-nitrophenyl]methyl]morpholine-3-carboxamide
CID 83099097
4-[[2-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095840
4-hexylmorpholine-3-carboxamide
CID 174697838

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide (CID 83096013) is 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide is CNc1nnc(CN2CCOCC2C(N)=O)s1.
What is the InChIKey of 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is JJWICRMCXJPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-11-9-13-12-7(17-9)4-14-2-3-16-5-6(14)8(10)15/h6H,2-5H2,1H3,(H2,10,15)(H,11,13).
What are the key properties of 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide?
4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 257.32 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).