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

C9H13F2N3O2S — CID 114094008

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H13F2N3O2S/c1-4(2)6-7(17-14-13-6)9(16)12-3-5(15)8(10)11/h4-5,8,15H,3H2,1-2H3,(H,12,16)
InChIKeyXAZQNWAYNYNJBR-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.02
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 114094008) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID114094008
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H13F2N3O2S/c1-4(2)6-7(17-14-13-6)9(16)12-3-5(15)8(10)11/h4-5,8,15H,3H2,1-2H3,(H,12,16)
InChIKeyXAZQNWAYNYNJBR-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-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 114094008) is N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is XAZQNWAYNYNJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c1-4(2)6-7(17-14-13-6)9(16)12-3-5(15)8(10)11/h4-5,8,15H,3H2,1-2H3,(H,12,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 114094008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).