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

C16H13F3N4OS2 — CID 166236926

IUPAC3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(CCc1cscn1)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H13F3N4OS2/c17-16(18,19)11-3-1-10(2-4-11)7-14-22-23-15(26-14)21-13(24)6-5-12-8-25-9-20-12/h1-4,8-9H,5-7H2,(H,21,23,24)
InChIKeyBYPBZDKZRGLJLQ-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.18
Rot. Bonds6

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

3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 166236926) has the molecular formula C16H13F3N4OS2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID166236926
Molecular FormulaC16H13F3N4OS2
Molecular Weight398.44 g/mol
Exact Mass398.05
IUPAC Name3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(CCc1cscn1)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H13F3N4OS2/c17-16(18,19)11-3-1-10(2-4-11)7-14-22-23-15(26-14)21-13(24)6-5-12-8-25-9-20-12/h1-4,8-9H,5-7H2,(H,21,23,24)
InChIKeyBYPBZDKZRGLJLQ-UHFFFAOYSA-N
XLogP4.18
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
1-(2-methoxypropyl)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]urea
CID 166237684
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51142621
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 78863035
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide
CID 87532913
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46980739

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 166236926) is 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide is O=C(CCc1cscn1)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is BYPBZDKZRGLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS2/c17-16(18,19)11-3-1-10(2-4-11)7-14-22-23-15(26-14)21-13(24)6-5-12-8-25-9-20-12/h1-4,8-9H,5-7H2,(H,21,23,24).
What are the key properties of 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 398.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 166236926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).