2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide

C17H15ClN4O2S — CID 3683312

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C17H15ClN4O2S/c1-17(2,24-13-5-3-12(18)4-6-13)15(23)20-16-22-21-14(25-16)11-7-9-19-10-8-11/h3-10H,1-2H3,(H,20,22,23)
InChIKeyUQCJUMXNXMMAMC-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 3683312) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID3683312
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C17H15ClN4O2S/c1-17(2,24-13-5-3-12(18)4-6-13)15(23)20-16-22-21-14(25-16)11-7-9-19-10-8-11/h3-10H,1-2H3,(H,20,22,23)
InChIKeyUQCJUMXNXMMAMC-UHFFFAOYSA-N
XLogP4.05
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929361
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1402105
2-(4-chlorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 4432169
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
2-(2-Fluoro-phenoxy)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 921459
2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2309669
N-Allyl-2-phenoxy-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1076248
N-Methyl-2-phenoxy-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 654520
N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 1864426
2-(4-Chloro-phenoxy)-N-(2-methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 9549586

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 3683312) is 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is UQCJUMXNXMMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-17(2,24-13-5-3-12(18)4-6-13)15(23)20-16-22-21-14(25-16)11-7-9-19-10-8-11/h3-10H,1-2H3,(H,20,22,23).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 374.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 3683312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).