N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide

C19H16N6OS — CID 95140346

IUPACN-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
SMILESNc1nnc([C@@H](NC(=O)c2cccc(-n3cccn3)c2)c2ccccc2)s1
InChIInChI=1S/C19H16N6OS/c20-19-24-23-18(27-19)16(13-6-2-1-3-7-13)22-17(26)14-8-4-9-15(12-14)25-11-5-10-21-25/h1-12,16H,(H2,20,24)(H,22,26)/t16-/m0/s1
InChIKeyUMRGCGLGWYKZRK-INIZCTEOSA-N
MW376.45 g/mol
LogP2.83
Rot. Bonds5

About N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide

N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 95140346) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
PubChem CID95140346
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
SMILESNc1nnc([C@@H](NC(=O)c2cccc(-n3cccn3)c2)c2ccccc2)s1
InChIInChI=1S/C19H16N6OS/c20-19-24-23-18(27-19)16(13-6-2-1-3-7-13)22-17(26)14-8-4-9-15(12-14)25-11-5-10-21-25/h1-12,16H,(H2,20,24)(H,22,26)/t16-/m0/s1
InChIKeyUMRGCGLGWYKZRK-INIZCTEOSA-N
XLogP2.83
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 126444506
(3S)-3-(4-fluorophenyl)-3-[(3-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97192648
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70753415
1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 91791956
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
CID 91776924
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide
CID 51371078
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide (CID 95140346) is N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide is Nc1nnc([C@@H](NC(=O)c2cccc(-n3cccn3)c2)c2ccccc2)s1.
What is the InChIKey of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is UMRGCGLGWYKZRK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N6OS/c20-19-24-23-18(27-19)16(13-6-2-1-3-7-13)22-17(26)14-8-4-9-15(12-14)25-11-5-10-21-25/h1-12,16H,(H2,20,24)(H,22,26)/t16-/m0/s1.
What are the key properties of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide?
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 95140346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).