N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide

C6H7F2N3O2S — CID 103770023

IUPACN-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csnn1
InChIInChI=1S/C6H7F2N3O2S/c7-5(8)4(12)1-9-6(13)3-2-14-11-10-3/h2,4-5,12H,1H2,(H,9,13)
InChIKeyZGMCYEVIDAGSBZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP-0.11
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide (PubChem CID 103770023) has the molecular formula C6H7F2N3O2S and a molecular weight of 223.20 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide
PubChem CID103770023
Molecular FormulaC6H7F2N3O2S
Molecular Weight223.20 g/mol
Exact Mass223.02
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csnn1
InChIInChI=1S/C6H7F2N3O2S/c7-5(8)4(12)1-9-6(13)3-2-14-11-10-3/h2,4-5,12H,1H2,(H,9,13)
InChIKeyZGMCYEVIDAGSBZ-UHFFFAOYSA-N
XLogP-0.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 5-0.11
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)thiadiazole-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide (CID 103770023) is N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide is O=C(NCC(O)C(F)F)c1csnn1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide?
The InChIKey is ZGMCYEVIDAGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2S/c7-5(8)4(12)1-9-6(13)3-2-14-11-10-3/h2,4-5,12H,1H2,(H,9,13).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide has a molecular weight of 223.20 g/mol, XLogP of -0.11, 4 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)thiadiazole-4-carboxamide is sourced from PubChem (CID 103770023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).