3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide

C17H17N5O3S3 — CID 25392998

IUPAC3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C17H17N5O3S3/c18-28(24,25)14-8-6-13(7-9-14)19-15(23)10-11-26-17-22-21-16(27-17)20-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21)(H2,18,24,25)
InChIKeyIZSDKIKYNDGTEA-UHFFFAOYSA-N
MW435.56 g/mol
LogP3.05
Rot. Bonds8

About 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide

3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25392998) has the molecular formula C17H17N5O3S3 and a molecular weight of 435.56 g/mol. Its IUPAC name is 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID25392998
Molecular FormulaC17H17N5O3S3
Molecular Weight435.56 g/mol
Exact Mass435.05
IUPAC Name3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C17H17N5O3S3/c18-28(24,25)14-8-6-13(7-9-14)19-15(23)10-11-26-17-22-21-16(27-17)20-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21)(H2,18,24,25)
InChIKeyIZSDKIKYNDGTEA-UHFFFAOYSA-N
XLogP3.05
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 16538798
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide
CID 167939499
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 55317415
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25038576
4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-one
CID 2107142
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
3-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 51303613
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3424280
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781

Frequently Asked Questions

What is the IUPAC name of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 25392998) is 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is IZSDKIKYNDGTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S3/c18-28(24,25)14-8-6-13(7-9-14)19-15(23)10-11-26-17-22-21-16(27-17)20-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21)(H2,18,24,25).
What are the key properties of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 435.56 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25392998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).