N-carbamoylbenzamide;1,3,4-thiadiazole

C10H10N4O2S — CID 174576753

IUPACN-carbamoylbenzamide;1,3,4-thiadiazole
SMILESNC(=O)NC(=O)c1ccccc1.c1nncs1
InChIInChI=1S/C8H8N2O2.C2H2N2S/c9-8(12)10-7(11)6-4-2-1-3-5-6;1-3-4-2-5-1/h1-5H,(H3,9,10,11,12);1-2H
InChIKeyJGLZSRVXLIGXHL-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.03
Rot. Bonds1

About N-carbamoylbenzamide;1,3,4-thiadiazole

N-carbamoylbenzamide;1,3,4-thiadiazole (PubChem CID 174576753) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-carbamoylbenzamide;1,3,4-thiadiazole.

Molecular Properties

Compound NameN-carbamoylbenzamide;1,3,4-thiadiazole
PubChem CID174576753
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-carbamoylbenzamide;1,3,4-thiadiazole
SMILESNC(=O)NC(=O)c1ccccc1.c1nncs1
InChIInChI=1S/C8H8N2O2.C2H2N2S/c9-8(12)10-7(11)6-4-2-1-3-5-6;1-3-4-2-5-1/h1-5H,(H3,9,10,11,12);1-2H
InChIKeyJGLZSRVXLIGXHL-UHFFFAOYSA-N
XLogP1.03
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoylbenzamide;1,3,4-thiadiazole?
The IUPAC name of N-carbamoylbenzamide;1,3,4-thiadiazole (CID 174576753) is N-carbamoylbenzamide;1,3,4-thiadiazole.
What is the SMILES notation for N-carbamoylbenzamide;1,3,4-thiadiazole?
The canonical SMILES for N-carbamoylbenzamide;1,3,4-thiadiazole is NC(=O)NC(=O)c1ccccc1.c1nncs1.
What is the InChIKey of N-carbamoylbenzamide;1,3,4-thiadiazole?
The InChIKey is JGLZSRVXLIGXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C2H2N2S/c9-8(12)10-7(11)6-4-2-1-3-5-6;1-3-4-2-5-1/h1-5H,(H3,9,10,11,12);1-2H.
What are the key properties of N-carbamoylbenzamide;1,3,4-thiadiazole?
N-carbamoylbenzamide;1,3,4-thiadiazole has a molecular weight of 250.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoylbenzamide;1,3,4-thiadiazole is sourced from PubChem (CID 174576753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).