N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide

C13H16N4OS — CID 51371078

IUPACN-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C13H16N4OS/c1-8(2)10(12-16-17-13(14)19-12)15-11(18)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,14,17)(H,15,18)
InChIKeyXNHGNMNTCODHCK-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.25
Rot. Bonds4

About N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide (PubChem CID 51371078) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide
PubChem CID51371078
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C13H16N4OS/c1-8(2)10(12-16-17-13(14)19-12)15-11(18)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,14,17)(H,15,18)
InChIKeyXNHGNMNTCODHCK-UHFFFAOYSA-N
XLogP2.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383
N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide
CID 95629362
methyl (2S)-2-benzamidopropanoate
CID 6364617
N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 76780212
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70753415
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97142637
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
CID 95140346

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide?
The IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide (CID 51371078) is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide?
The canonical SMILES for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide is CC(C)C(NC(=O)c1ccccc1)c1nnc(N)s1.
What is the InChIKey of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide?
The InChIKey is XNHGNMNTCODHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8(2)10(12-16-17-13(14)19-12)15-11(18)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide?
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide has a molecular weight of 276.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 51371078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).