2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide

C17H14FN5O2S — CID 1394324

IUPAC2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1ccccc1
InChIInChI=1S/C17H14FN5O2S/c18-11-6-8-13(9-7-11)20-16(25)21-17-23-22-15(26-17)10-14(24)19-12-4-2-1-3-5-12/h1-9H,10H2,(H,19,24)(H2,20,21,23,25)
InChIKeyYPCDZFUATBMEBO-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.50
Rot. Bonds5

About 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide

2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (PubChem CID 1394324) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
PubChem CID1394324
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC Name2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1ccccc1
InChIInChI=1S/C17H14FN5O2S/c18-11-6-8-13(9-7-11)20-16(25)21-17-23-22-15(26-17)10-14(24)19-12-4-2-1-3-5-12/h1-9H,10H2,(H,19,24)(H2,20,21,23,25)
InChIKeyYPCDZFUATBMEBO-UHFFFAOYSA-N
XLogP3.50
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 940392
Succinamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-phenyl-
CID 1390721
1-[5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 881236
1-[5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 948749
1-[5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 948803
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
CID 1860187
N1-(5-isobutyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 944343
1-Phenyl-3-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-urea
CID 2800908
1-[5-(2-Fluoro-benzyl)-[1,3,4]thiadiazol-2-yl]-3-phenyl-urea
CID 784938
1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea
CID 881215
[5-(3-Phenyl-ureido)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester
CID 646833
1-(2-Fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 881082

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (CID 1394324) is 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is O=C(Cc1nnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1ccccc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The InChIKey is YPCDZFUATBMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c18-11-6-8-13(9-7-11)20-16(25)21-17-23-22-15(26-17)10-14(24)19-12-4-2-1-3-5-12/h1-9H,10H2,(H,19,24)(H2,20,21,23,25).
What are the key properties of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide has a molecular weight of 371.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 1394324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).