N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

C7H10FN3OS — CID 131185475

IUPACN-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)N[C@@H](C)CF)n1
InChIInChI=1S/C7H10FN3OS/c1-4(3-8)9-6(12)7-10-5(2)11-13-7/h4H,3H2,1-2H3,(H,9,12)/t4-/m0/s1
InChIKeyQMBUHUZTSLYZHK-BYPYZUCNSA-N
MW203.24 g/mol
LogP0.93
Rot. Bonds3

About N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 131185475) has the molecular formula C7H10FN3OS and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID131185475
Molecular FormulaC7H10FN3OS
Molecular Weight203.24 g/mol
Exact Mass203.05
IUPAC NameN-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)N[C@@H](C)CF)n1
InChIInChI=1S/C7H10FN3OS/c1-4(3-8)9-6(12)7-10-5(2)11-13-7/h4H,3H2,1-2H3,(H,9,12)/t4-/m0/s1
InChIKeyQMBUHUZTSLYZHK-BYPYZUCNSA-N
XLogP0.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 131185475) is N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)N[C@@H](C)CF)n1.
What is the InChIKey of N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is QMBUHUZTSLYZHK-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10FN3OS/c1-4(3-8)9-6(12)7-10-5(2)11-13-7/h4H,3H2,1-2H3,(H,9,12)/t4-/m0/s1.
What are the key properties of N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 131185475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).