N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide

C6H8FN3OS — CID 130621548

IUPACN-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide
SMILESCC(CF)NC(=O)c1cnns1
InChIInChI=1S/C6H8FN3OS/c1-4(2-7)9-6(11)5-3-8-10-12-5/h3-4H,2H2,1H3,(H,9,11)
InChIKeyNYNXYVWIPWYONS-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.63
Rot. Bonds3

About N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide

N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide (PubChem CID 130621548) has the molecular formula C6H8FN3OS and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide
PubChem CID130621548
Molecular FormulaC6H8FN3OS
Molecular Weight189.21 g/mol
Exact Mass189.04
IUPAC NameN-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide
SMILESCC(CF)NC(=O)c1cnns1
InChIInChI=1S/C6H8FN3OS/c1-4(2-7)9-6(11)5-3-8-10-12-5/h3-4H,2H2,1H3,(H,9,11)
InChIKeyNYNXYVWIPWYONS-UHFFFAOYSA-N
XLogP0.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-Cyano-2-methylpropyl]thiadiazole-5-carboxamide
CID 132360370
N-[3-(2,2,2-trifluoroethoxy)propyl]thiadiazole-5-carboxamide
CID 87023272
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide
CID 114383417
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide;hydrochloride
CID 120409382
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
CID 120811588
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide
CID 120811589
N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 126782209
N-(3,3-difluorobutan-2-yl)thiadiazole-5-carboxamide
CID 126793926
N-[(2S)-1-fluoropropan-2-yl]thiadiazole-5-carboxamide
CID 126996410
N-(2-fluoroethyl)thiadiazole-5-carboxamide
CID 130693984
N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
CID 130945825
2-fluoro-2-methyl-N-(thiadiazol-5-ylmethyl)propanamide
CID 130986241

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide (CID 130621548) is N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide is CC(CF)NC(=O)c1cnns1.
What is the InChIKey of N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is NYNXYVWIPWYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3OS/c1-4(2-7)9-6(11)5-3-8-10-12-5/h3-4H,2H2,1H3,(H,9,11).
What are the key properties of N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide?
N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 189.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 130621548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).