N,4-dimethyl-N-phenylthiadiazole-5-carboxamide

C11H11N3OS — CID 850805

IUPACN,4-dimethyl-N-phenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C11H11N3OS/c1-8-10(16-13-12-8)11(15)14(2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyCKOGASHLHVWJBL-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.12
Rot. Bonds2

About N,4-dimethyl-N-phenylthiadiazole-5-carboxamide

N,4-dimethyl-N-phenylthiadiazole-5-carboxamide (PubChem CID 850805) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N,4-dimethyl-N-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-phenylthiadiazole-5-carboxamide
PubChem CID850805
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN,4-dimethyl-N-phenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C11H11N3OS/c1-8-10(16-13-12-8)11(15)14(2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyCKOGASHLHVWJBL-UHFFFAOYSA-N
XLogP2.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-phenylthiadiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-phenylthiadiazole-5-carboxamide (CID 850805) is N,4-dimethyl-N-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-phenylthiadiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-phenylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)c1ccccc1.
What is the InChIKey of N,4-dimethyl-N-phenylthiadiazole-5-carboxamide?
The InChIKey is CKOGASHLHVWJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-10(16-13-12-8)11(15)14(2)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of N,4-dimethyl-N-phenylthiadiazole-5-carboxamide?
N,4-dimethyl-N-phenylthiadiazole-5-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 850805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).