4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide

C9H8F2N4OS2 — CID 135153561

IUPAC4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1csc(NC(=O)c2snnc2C(F)F)n1
InChIInChI=1S/C9H8F2N4OS2/c1-2-4-3-17-9(12-4)13-8(16)6-5(7(10)11)14-15-18-6/h3,7H,2H2,1H3,(H,12,13,16)
InChIKeyKCTDRDJLYCLNSA-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.75
Rot. Bonds4

About 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide

4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 135153561) has the molecular formula C9H8F2N4OS2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
PubChem CID135153561
Molecular FormulaC9H8F2N4OS2
Molecular Weight290.32 g/mol
Exact Mass290.01
IUPAC Name4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1csc(NC(=O)c2snnc2C(F)F)n1
InChIInChI=1S/C9H8F2N4OS2/c1-2-4-3-17-9(12-4)13-8(16)6-5(7(10)11)14-15-18-6/h3,7H,2H2,1H3,(H,12,13,16)
InChIKeyKCTDRDJLYCLNSA-UHFFFAOYSA-N
XLogP2.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-1,2,3-thiadiazole-5-carboxamide
CID 20719818
4-(difluoromethyl)-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 142383500
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560322
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84561345
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676720
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 16453754
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 20719817
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-4-carboxamide
CID 20719826
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide
CID 29289643
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 32869317
4-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 35936393
Ethyl (2-{[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 39032922

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide (CID 135153561) is 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide is CCc1csc(NC(=O)c2snnc2C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The InChIKey is KCTDRDJLYCLNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4OS2/c1-2-4-3-17-9(12-4)13-8(16)6-5(7(10)11)14-15-18-6/h3,7H,2H2,1H3,(H,12,13,16).
What are the key properties of 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(4-ethyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 135153561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).