N-cyclopropyl-4-phenylthiadiazole-5-carboxamide

C12H11N3OS — CID 45495135

IUPACN-cyclopropyl-4-phenylthiadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1snnc1-c1ccccc1
InChIInChI=1S/C12H11N3OS/c16-12(13-9-6-7-9)11-10(14-15-17-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)
InChIKeyXQCOSJMNCUXWKC-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.10
Rot. Bonds3

About N-cyclopropyl-4-phenylthiadiazole-5-carboxamide

N-cyclopropyl-4-phenylthiadiazole-5-carboxamide (PubChem CID 45495135) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-cyclopropyl-4-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-phenylthiadiazole-5-carboxamide
PubChem CID45495135
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-cyclopropyl-4-phenylthiadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1snnc1-c1ccccc1
InChIInChI=1S/C12H11N3OS/c16-12(13-9-6-7-9)11-10(14-15-17-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)
InChIKeyXQCOSJMNCUXWKC-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-phenylthiadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-phenylthiadiazole-5-carboxamide (CID 45495135) is N-cyclopropyl-4-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-phenylthiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-phenylthiadiazole-5-carboxamide is O=C(NC1CC1)c1snnc1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-4-phenylthiadiazole-5-carboxamide?
The InChIKey is XQCOSJMNCUXWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-12(13-9-6-7-9)11-10(14-15-17-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16).
What are the key properties of N-cyclopropyl-4-phenylthiadiazole-5-carboxamide?
N-cyclopropyl-4-phenylthiadiazole-5-carboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 45495135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).