N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen

C19H21N7O2S — CID 153386027

IUPACN-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen
SMILESO=C(NC(Cc1ccccc1)C(=O)C1=NNNN1)c1nsnc1-c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C19H17N7O2S.2H2/c27-17(18-21-25-26-22-18)14(11-12-7-3-1-4-8-12)20-19(28)16-15(23-29-24-16)13-9-5-2-6-10-13;;/h1-10,14,25-26H,11H2,(H,20,28)(H,21,22);2*1H
InChIKeyDPMFBHGQPRMZBV-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.53
Rot. Bonds7

About N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen

N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen (PubChem CID 153386027) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen
PubChem CID153386027
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC NameN-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen
SMILESO=C(NC(Cc1ccccc1)C(=O)C1=NNNN1)c1nsnc1-c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C19H17N7O2S.2H2/c27-17(18-21-25-26-22-18)14(11-12-7-3-1-4-8-12)20-19(28)16-15(23-29-24-16)13-9-5-2-6-10-13;;/h1-10,14,25-26H,11H2,(H,20,28)(H,21,22);2*1H
InChIKeyDPMFBHGQPRMZBV-UHFFFAOYSA-N
XLogP1.53
TPSA120.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 134397603
N-[4-(2,2-dimethylhydrazinyl)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 139536074
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 147054726
N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 159069151
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-4-pyridin-4-yl-1,2,5-thiadiazole-3-carboxamide
CID 147196611
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-4-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385571
3-[[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carbonyl]amino]-2-oxo-4-phenylbutanoic acid
CID 155479028
4-(2-methylfuran-3-yl)-N-[4-(1,3-oxazol-2-ylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1,2,5-thiadiazole-3-carboxamide
CID 155478732
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide
CID 146713405
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385303
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen (CID 153386027) is N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen is O=C(NC(Cc1ccccc1)C(=O)C1=NNNN1)c1nsnc1-c1ccccc1.[H][H].[H][H].
What is the InChIKey of N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen?
The InChIKey is DPMFBHGQPRMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S.2H2/c27-17(18-21-25-26-22-18)14(11-12-7-3-1-4-8-12)20-19(28)16-15(23-29-24-16)13-9-5-2-6-10-13;;/h1-10,14,25-26H,11H2,(H,20,28)(H,21,22);2*1H.
What are the key properties of N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen?
N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen has a molecular weight of 411.49 g/mol, XLogP of 1.53, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-tetrazol-5-yl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 153386027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).