2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

C12H12ClN3O2S — CID 2930741

IUPAC2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1nncs1
InChIInChI=1S/C12H12ClN3O2S/c1-7-5-9(13)3-4-10(7)18-8(2)11(17)15-12-16-14-6-19-12/h3-6,8H,1-2H3,(H,15,16,17)
InChIKeyARUZWJBBJRTTOG-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 2930741) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID2930741
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1nncs1
InChIInChI=1S/C12H12ClN3O2S/c1-7-5-9(13)3-4-10(7)18-8(2)11(17)15-12-16-14-6-19-12/h3-6,8H,1-2H3,(H,15,16,17)
InChIKeyARUZWJBBJRTTOG-UHFFFAOYSA-N
XLogP2.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 2930741) is 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1nncs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is ARUZWJBBJRTTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7-5-9(13)3-4-10(7)18-8(2)11(17)15-12-16-14-6-19-12/h3-6,8H,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 297.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 2930741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).