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

C14H9F3N4OS2 — CID 29370902

IUPAC4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nncs1
InChIInChI=1S/C14H9F3N4OS2/c1-7-10(11(22)20-13-21-18-6-23-13)24-12(19-7)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3,(H,20,21,22)
InChIKeyRFQPVALJKYGOCO-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.24
Rot. Bonds3

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

4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 29370902) has the molecular formula C14H9F3N4OS2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID29370902
Molecular FormulaC14H9F3N4OS2
Molecular Weight370.38 g/mol
Exact Mass370.02
IUPAC Name4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nncs1
InChIInChI=1S/C14H9F3N4OS2/c1-7-10(11(22)20-13-21-18-6-23-13)24-12(19-7)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3,(H,20,21,22)
InChIKeyRFQPVALJKYGOCO-UHFFFAOYSA-N
XLogP4.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 29370902) is 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nncs1.
What is the InChIKey of 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RFQPVALJKYGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS2/c1-7-10(11(22)20-13-21-18-6-23-13)24-12(19-7)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3,(H,20,21,22).
What are the key properties of 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 29370902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).