N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

C15H12F3N5O2S2 — CID 27377810

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESCc1nnc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)s1
InChIInChI=1S/C15H12F3N5O2S2/c1-8-22-23-14(27-8)21-12(24)6-10-7-26-13(20-10)19-9-2-4-11(5-3-9)25-15(16,17)18/h2-5,7H,6H2,1H3,(H,19,20)(H,21,23,24)
InChIKeyBMDQNHFLWVJHOM-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.13
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 27377810) has the molecular formula C15H12F3N5O2S2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID27377810
Molecular FormulaC15H12F3N5O2S2
Molecular Weight415.42 g/mol
Exact Mass415.04
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESCc1nnc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)s1
InChIInChI=1S/C15H12F3N5O2S2/c1-8-22-23-14(27-8)21-12(24)6-10-7-26-13(20-10)19-9-2-4-11(5-3-9)25-15(16,17)18/h2-5,7H,6H2,1H3,(H,19,20)(H,21,23,24)
InChIKeyBMDQNHFLWVJHOM-UHFFFAOYSA-N
XLogP4.13
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (CID 27377810) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is Cc1nnc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is BMDQNHFLWVJHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2S2/c1-8-22-23-14(27-8)21-12(24)6-10-7-26-13(20-10)19-9-2-4-11(5-3-9)25-15(16,17)18/h2-5,7H,6H2,1H3,(H,19,20)(H,21,23,24).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 415.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27377810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).