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

C18H16FN5O2S — CID 1335326

IUPAC2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H16FN5O2S/c1-11-3-2-4-14(9-11)20-15(25)10-16-23-24-18(27-16)22-17(26)21-13-7-5-12(19)6-8-13/h2-9H,10H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyIQLWEKUSDWUGKQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.81
Rot. Bonds5

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

2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 1335326) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID1335326
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H16FN5O2S/c1-11-3-2-4-14(9-11)20-15(25)10-16-23-24-18(27-16)22-17(26)21-13-7-5-12(19)6-8-13/h2-9H,10H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyIQLWEKUSDWUGKQ-UHFFFAOYSA-N
XLogP3.81
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide
CID 52906290
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2278160
1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)urea
CID 2476754
2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 28695722
2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2895875
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
1-(3,4-dimethylphenyl)-3-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1343382
N-(3-methylphenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 78792369
2-[[5-[(3-methylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283964
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 1335326) is 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is IQLWEKUSDWUGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-11-3-2-4-14(9-11)20-15(25)10-16-23-24-18(27-16)22-17(26)21-13-7-5-12(19)6-8-13/h2-9H,10H2,1H3,(H,20,25)(H2,21,22,24,26).
What are the key properties of 2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.81, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 1335326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).