2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C20H19ClN4O2S — CID 1444906

IUPAC2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(c1nnc(-c2cccnc2)s1)C1CCCC1
InChIInChI=1S/C20H19ClN4O2S/c21-15-7-9-17(10-8-15)27-13-18(26)25(16-5-1-2-6-16)20-24-23-19(28-20)14-4-3-11-22-12-14/h3-4,7-12,16H,1-2,5-6,13H2
InChIKeyJWZHDHOLDIIZNM-UHFFFAOYSA-N
MW414.92 g/mol
LogP4.61
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1444906) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1444906
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(c1nnc(-c2cccnc2)s1)C1CCCC1
InChIInChI=1S/C20H19ClN4O2S/c21-15-7-9-17(10-8-15)27-13-18(26)25(16-5-1-2-6-16)20-24-23-19(28-20)14-4-3-11-22-12-14/h3-4,7-12,16H,1-2,5-6,13H2
InChIKeyJWZHDHOLDIIZNM-UHFFFAOYSA-N
XLogP4.61
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide
CID 1444891
N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451861
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
2-(4-chlorophenoxy)-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3230676
2-(4-chlorophenoxy)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3212622
3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451867
S-methyl N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)carbamothioate
CID 87085130
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 40983556
2-(4-chlorophenoxy)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 40983617
2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 87002083

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 1444906) is 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)N(c1nnc(-c2cccnc2)s1)C1CCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JWZHDHOLDIIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c21-15-7-9-17(10-8-15)27-13-18(26)25(16-5-1-2-6-16)20-24-23-19(28-20)14-4-3-11-22-12-14/h3-4,7-12,16H,1-2,5-6,13H2.
What are the key properties of 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 414.92 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1444906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).