4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide

C10H17N4O2S+ — CID 7576729

IUPAC4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C10H16N4O2S/c1-8-9(17-13-12-8)10(15)11-2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H,11,15)/p+1
InChIKeyUZEPWCVGYVRVOP-UHFFFAOYSA-O
MW257.34 g/mol
LogP-1.51
Rot. Bonds4

About 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide

4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide (PubChem CID 7576729) has the molecular formula C10H17N4O2S+ and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide
PubChem CID7576729
Molecular FormulaC10H17N4O2S+
Molecular Weight257.34 g/mol
Exact Mass257.11
IUPAC Name4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C10H16N4O2S/c1-8-9(17-13-12-8)10(15)11-2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H,11,15)/p+1
InChIKeyUZEPWCVGYVRVOP-UHFFFAOYSA-O
XLogP-1.51
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide (CID 7576729) is 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC[NH+]1CCOCC1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide?
The InChIKey is UZEPWCVGYVRVOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N4O2S/c1-8-9(17-13-12-8)10(15)11-2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H,11,15)/p+1.
What are the key properties of 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide?
4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide has a molecular weight of 257.34 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 7576729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).