N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C19H18FN3OS2 — CID 1444698

IUPACN-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1
InChIInChI=1S/C19H18FN3OS2/c20-14-9-7-13(8-10-14)18-21-22-19(26-18)23(15-4-1-2-5-15)17(24)12-16-6-3-11-25-16/h3,6-11,15H,1-2,4-5,12H2
InChIKeyAIBISHUGBKHVNY-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.92
Rot. Bonds5

About N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 1444698) has the molecular formula C19H18FN3OS2 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID1444698
Molecular FormulaC19H18FN3OS2
Molecular Weight387.51 g/mol
Exact Mass387.09
IUPAC NameN-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1
InChIInChI=1S/C19H18FN3OS2/c20-14-9-7-13(8-10-14)18-21-22-19(26-18)23(15-4-1-2-5-15)17(24)12-16-6-3-11-25-16/h3,6-11,15H,1-2,4-5,12H2
InChIKeyAIBISHUGBKHVNY-UHFFFAOYSA-N
XLogP4.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
3-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one
CID 139068977
N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 3228609
1-[4-[5-(4-Fluorophenyl)tetrazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16668512
(E,4S)-4-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-methylhept-2-enamide
CID 67773949
(4S)-4-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-methylhept-2-enamide
CID 67773961
4-[(2-amino-3-thiophen-2-ylpropanoyl)amino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-methylhept-2-enamide
CID 77352640
(2S)-2-amino-N-[(E,4S)-1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-(2,2,2-trifluoroacetyl)amino]-6-methylhept-2-en-4-yl]-3-thiophen-2-ylpropanamide
CID 88415152
4-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-6-methylhept-2-enamide
CID 140583688
N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1444696
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
CID 1444833

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 1444698) is N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is AIBISHUGBKHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS2/c20-14-9-7-13(8-10-14)18-21-22-19(26-18)23(15-4-1-2-5-15)17(24)12-16-6-3-11-25-16/h3,6-11,15H,1-2,4-5,12H2.
What are the key properties of N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 387.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1444698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).