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

C12H13N5O2S — CID 92659597

IUPAC4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2nnc(N)s2)cc1
InChIInChI=1S/C12H13N5O2S/c1-7(18)15-9-4-2-8(3-5-9)11(19)14-6-10-16-17-12(13)20-10/h2-5H,6H2,1H3,(H2,13,17)(H,14,19)(H,15,18)
InChIKeyFFPOHGSDEHQUDG-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.01
Rot. Bonds4

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

4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide (PubChem CID 92659597) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
PubChem CID92659597
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2nnc(N)s2)cc1
InChIInChI=1S/C12H13N5O2S/c1-7(18)15-9-4-2-8(3-5-9)11(19)14-6-10-16-17-12(13)20-10/h2-5H,6H2,1H3,(H2,13,17)(H,14,19)(H,15,18)
InChIKeyFFPOHGSDEHQUDG-UHFFFAOYSA-N
XLogP1.01
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide
CID 92659579
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 91788939
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
CID 92660456
N-(4-fluorophenyl)-5-[[(4-methylbenzoyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099798
5-[[(4-fluorobenzoyl)amino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53099830
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 91768199
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
CID 122567122
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
CID 46785995

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide (CID 92659597) is 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide is CC(=O)Nc1ccc(C(=O)NCc2nnc(N)s2)cc1.
What is the InChIKey of 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The InChIKey is FFPOHGSDEHQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-7(18)15-9-4-2-8(3-5-9)11(19)14-6-10-16-17-12(13)20-10/h2-5H,6H2,1H3,(H2,13,17)(H,14,19)(H,15,18).
What are the key properties of 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide?
4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide has a molecular weight of 291.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 92659597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).