N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide

C8H10N4O3S — CID 87388416

IUPACN-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide
SMILESO=CNc1nnc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C8H10N4O3S/c13-5-9-8-11-10-6(16-8)7(14)12-1-3-15-4-2-12/h5H,1-4H2,(H,9,11,13)
InChIKeyCPBPLMUYGLWKBI-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.42
Rot. Bonds3

About N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide

N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide (PubChem CID 87388416) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide
PubChem CID87388416
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC NameN-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide
SMILESO=CNc1nnc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C8H10N4O3S/c13-5-9-8-11-10-6(16-8)7(14)12-1-3-15-4-2-12/h5H,1-4H2,(H,9,11,13)
InChIKeyCPBPLMUYGLWKBI-UHFFFAOYSA-N
XLogP-0.42
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide?
The IUPAC name of N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide (CID 87388416) is N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide.
What is the SMILES notation for N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide?
The canonical SMILES for N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide is O=CNc1nnc(C(=O)N2CCOCC2)s1.
What is the InChIKey of N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide?
The InChIKey is CPBPLMUYGLWKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c13-5-9-8-11-10-6(16-8)7(14)12-1-3-15-4-2-12/h5H,1-4H2,(H,9,11,13).
What are the key properties of N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide?
N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide has a molecular weight of 242.26 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]formamide is sourced from PubChem (CID 87388416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).