5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

C9H6F3N3OS2 — CID 1245444

IUPAC5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C9H6F3N3OS2/c1-4-2-5(3-17-4)6(16)13-8-15-14-7(18-8)9(10,11)12/h2-3H,1H3,(H,13,15,16)
InChIKeyXUKAIIHIPUVRNV-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.18
Rot. Bonds2

About 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 1245444) has the molecular formula C9H6F3N3OS2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
PubChem CID1245444
Molecular FormulaC9H6F3N3OS2
Molecular Weight293.30 g/mol
Exact Mass292.99
IUPAC Name5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C9H6F3N3OS2/c1-4-2-5(3-17-4)6(16)13-8-15-14-7(18-8)9(10,11)12/h2-3H,1H3,(H,13,15,16)
InChIKeyXUKAIIHIPUVRNV-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 9460401
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 25162698
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 871907
N-(5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1633446
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 644784
N-[5-(tert-butyl)(1,3,4-thiadiazol-2-yl)]-2-thienylcarboxamide
CID 695198
N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 745404
N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809018
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyl-3-thiophenecarboxamide
CID 1245519

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (CID 1245444) is 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cs1.
What is the InChIKey of 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is XUKAIIHIPUVRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS2/c1-4-2-5(3-17-4)6(16)13-8-15-14-7(18-8)9(10,11)12/h2-3H,1H3,(H,13,15,16).
What are the key properties of 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 1245444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).