N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide

C11H10N4O2S — CID 6852065

IUPACN-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H10N4O2S/c1-6-9(18-15-14-6)11(17)13-8-4-2-7(3-5-8)10(12)16/h2-5H,1H3,(H2,12,16)(H,13,17)
InChIKeyWWMBDLBTHMHVSB-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.20
Rot. Bonds3

About N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide

N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 6852065) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID6852065
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H10N4O2S/c1-6-9(18-15-14-6)11(17)13-8-4-2-7(3-5-8)10(12)16/h2-5H,1H3,(H2,12,16)(H,13,17)
InChIKeyWWMBDLBTHMHVSB-UHFFFAOYSA-N
XLogP1.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide (CID 6852065) is N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is WWMBDLBTHMHVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-6-9(18-15-14-6)11(17)13-8-4-2-7(3-5-8)10(12)16/h2-5H,1H3,(H2,12,16)(H,13,17).
What are the key properties of N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 6852065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).