N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide

C13H15N3O2S — CID 56765338

IUPACN-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-9-11(19-16-15-9)12(17)14-8-13(2,18)10-6-4-3-5-7-10/h3-7,18H,8H2,1-2H3,(H,14,17)
InChIKeyABNURCHUPFSDRV-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.48
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide

N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 56765338) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide
PubChem CID56765338
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-9-11(19-16-15-9)12(17)14-8-13(2,18)10-6-4-3-5-7-10/h3-7,18H,8H2,1-2H3,(H,14,17)
InChIKeyABNURCHUPFSDRV-UHFFFAOYSA-N
XLogP1.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide (CID 56765338) is N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is ABNURCHUPFSDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-11(19-16-15-9)12(17)14-8-13(2,18)10-6-4-3-5-7-10/h3-7,18H,8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 56765338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).