N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C19H13F3N4OS — CID 9459968

IUPACN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)14-8-4-5-12(9-14)10-16(27)24-17-25-26-11-15(23-18(26)28-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,24,25,27)
InChIKeyOPCLLYXQXGNFEW-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.66
Rot. Bonds4

About N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 9459968) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID9459968
Molecular FormulaC19H13F3N4OS
Molecular Weight402.40 g/mol
Exact Mass402.08
IUPAC NameN-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)14-8-4-5-12(9-14)10-16(27)24-17-25-26-11-15(23-18(26)28-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,24,25,27)
InChIKeyOPCLLYXQXGNFEW-UHFFFAOYSA-N
XLogP4.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
CID 4799639
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122284110
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 2127052
N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221158
2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide
CID 3432149
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122284533
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122285176
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
3-phenyl-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]-1H-pyrazole-5-carbohydrazide
CID 7907311
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 9459968) is N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OPCLLYXQXGNFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)14-8-4-5-12(9-14)10-16(27)24-17-25-26-11-15(23-18(26)28-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,24,25,27).
What are the key properties of N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9459968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).