N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C8H5F3N4OS2 — CID 84560037

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4OS2/c1-3-14-15-7(18-3)13-6(16)4-5(8(9,10)11)12-2-17-4/h2H,1H3,(H,13,15,16)
InChIKeyZWJWNVODXBRCDG-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.57
Rot. Bonds2

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84560037) has the molecular formula C8H5F3N4OS2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84560037
Molecular FormulaC8H5F3N4OS2
Molecular Weight294.28 g/mol
Exact Mass293.99
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4OS2/c1-3-14-15-7(18-3)13-6(16)4-5(8(9,10)11)12-2-17-4/h2H,1H3,(H,13,15,16)
InChIKeyZWJWNVODXBRCDG-UHFFFAOYSA-N
XLogP2.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 76312610
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CID 76316114
CID 76316114
CID 76316115
CID 76316115
CID 76323480
CID 76323480
CID 76327044
CID 76327044
CID 76334303
CID 76334303
CID 86789668
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CID 136544422
CID 136544422
CID 141345226
CID 141345226

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84560037) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nnc(NC(=O)c2scnc2C(F)(F)F)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZWJWNVODXBRCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS2/c1-3-14-15-7(18-3)13-6(16)4-5(8(9,10)11)12-2-17-4/h2H,1H3,(H,13,15,16).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84560037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).