4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide

C16H12N4O2S — CID 17018933

IUPAC4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nncs2)cc1)c1ccccc1
InChIInChI=1S/C16H12N4O2S/c21-14(11-4-2-1-3-5-11)18-13-8-6-12(7-9-13)15(22)19-16-20-17-10-23-16/h1-10H,(H,18,21)(H,19,20,22)
InChIKeyFAXANGXYVRMKCM-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.04
Rot. Bonds4

About 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide

4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17018933) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17018933
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nncs2)cc1)c1ccccc1
InChIInChI=1S/C16H12N4O2S/c21-14(11-4-2-1-3-5-11)18-13-8-6-12(7-9-13)15(22)19-16-20-17-10-23-16/h1-10H,(H,18,21)(H,19,20,22)
InChIKeyFAXANGXYVRMKCM-UHFFFAOYSA-N
XLogP3.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17119526
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6470444
4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55759309
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 130649691
1-oxido-N-(1,3,4-thiadiazol-2-yl)pyridin-1-ium-4-carboxamide
CID 29369768
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
(4-benzamidophenyl)carbamic acid
CID 18543096
4-benzamido-N-(2-iodophenyl)benzamide
CID 30766478

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 17018933) is 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1ccc(C(=O)Nc2nncs2)cc1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FAXANGXYVRMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-14(11-4-2-1-3-5-11)18-13-8-6-12(7-9-13)15(22)19-16-20-17-10-23-16/h1-10H,(H,18,21)(H,19,20,22).
What are the key properties of 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 324.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17018933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).