2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H10ClN3O2S — CID 4769785

IUPAC2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CCl)s2)cc1
InChIInChI=1S/C11H10ClN3O2S/c1-17-8-4-2-7(3-5-8)10-14-15-11(18-10)13-9(16)6-12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyYGJNGWLZMGGYCH-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 4769785) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID4769785
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CCl)s2)cc1
InChIInChI=1S/C11H10ClN3O2S/c1-17-8-4-2-7(3-5-8)10-14-15-11(18-10)13-9(16)6-12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyYGJNGWLZMGGYCH-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100747610
4-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]benzoic acid
CID 121006067
2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 11233348
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
2-chloro-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
CID 44669186
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1246159
(2R,3S)-2-(3-chloropropanoylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 7399289
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
(2S)-2-(dimethylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 97329088
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 4769785) is 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(-c2nnc(NC(=O)CCl)s2)cc1.
What is the InChIKey of 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YGJNGWLZMGGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-17-8-4-2-7(3-5-8)10-14-15-11(18-10)13-9(16)6-12/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 283.74 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 4769785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).