4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide

C7H8F3N3O2S — CID 102979954

IUPAC4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-3-5(16-13-12-3)6(15)11-2-4(14)7(8,9)10/h4,14H,2H2,1H3,(H,11,15)
InChIKeyNHABMWXPEZKDLP-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.50
Rot. Bonds3

About 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide

4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (PubChem CID 102979954) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
PubChem CID102979954
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-3-5(16-13-12-3)6(15)11-2-4(14)7(8,9)10/h4,14H,2H2,1H3,(H,11,15)
InChIKeyNHABMWXPEZKDLP-UHFFFAOYSA-N
XLogP0.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 142383518
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103187265
N-(3,3-difluoro-2-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103579476
N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 103770476
4-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 105648536
4-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 105648620
N-(3,3-difluoro-2-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
CID 105649059
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
CID 107483148
4-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 113249075

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (CID 102979954) is 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The InChIKey is NHABMWXPEZKDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-3-5(16-13-12-3)6(15)11-2-4(14)7(8,9)10/h4,14H,2H2,1H3,(H,11,15).
What are the key properties of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide has a molecular weight of 255.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 102979954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).