N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide

C9H13F2N3O2S — CID 106168184

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2S/c1-5(2)6-7(17-14-13-6)8(16)12-3-9(10,11)4-15/h5,15H,3-4H2,1-2H3,(H,12,16)
InChIKeyIABLHQYDHBCGEY-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.02
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 106168184) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID106168184
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2S/c1-5(2)6-7(17-14-13-6)8(16)12-3-9(10,11)4-15/h5,15H,3-4H2,1-2H3,(H,12,16)
InChIKeyIABLHQYDHBCGEY-UHFFFAOYSA-N
XLogP1.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 106168184) is N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is IABLHQYDHBCGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c1-5(2)6-7(17-14-13-6)8(16)12-3-9(10,11)4-15/h5,15H,3-4H2,1-2H3,(H,12,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 106168184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).