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

C19H16N4OS — CID 4799639

IUPAC3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C19H16N4OS/c24-17(12-11-14-7-3-1-4-8-14)21-18-22-23-13-16(20-19(23)25-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22,24)
InChIKeyLHGQPLURLQZXKN-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.03
Rot. Bonds5

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

3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide (PubChem CID 4799639) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
PubChem CID4799639
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C19H16N4OS/c24-17(12-11-14-7-3-1-4-8-14)21-18-22-23-13-16(20-19(23)25-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22,24)
InChIKeyLHGQPLURLQZXKN-UHFFFAOYSA-N
XLogP4.03
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 2127052
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9459968
2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide
CID 3432149
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
(E)-3-[4-[2-(pyridin-3-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]prop-2-enoic acid
CID 67335354
N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257808
3-phenyl-N-[5-(2-phenylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42667066
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide (CID 4799639) is 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide?
The InChIKey is LHGQPLURLQZXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-17(12-11-14-7-3-1-4-8-14)21-18-22-23-13-16(20-19(23)25-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22,24).
What are the key properties of 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide?
3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide has a molecular weight of 348.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propanamide is sourced from PubChem (CID 4799639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).